4-Phenylbenzamide

C₁₃H₁₁NOCAS 3815-20-1197.24 g/mol

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Amide

Properties

Molecular formula: C₁₃H₁₁NO
Molar mass: 197.24 g/mol
Exact mass: 197.0841 Da
logP: 2.45Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed90.9% of notifiers
H315 Causes skin irritation11.4% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3815-20-1

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N

InChIKey

LUQVCHRDAGWYMG-UHFFFAOYSA-N

InChI

InChI=1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)

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Names and synonyms

1 names

4-Biphenylcarboxamide

Work with 4-Phenylbenzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalamide3010-82-067 % similar 4-Phenylbenzophenone2128-93-058 % similar 4-Aminobenzamide2835-68-954 % similar [1,1′-Biphenyl]-4-carbonyl chloride14002-51-854 % similar 4-Acetylbiphenyl92-91-154 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-254 % similar p-Phenylbenzoic acid hydrazide18622-23-653 % similar 4-Methylbenzamide619-55-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Aminobenzophenone1137-41-3 (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-3 1,2,6,7-Tetrahydro-8H-indeno-(5,4-B)-furan-8-ylidene acetonitrile196597-79-2 2-Aminobenzophenone2835-77-0 3-Aminobenzophenone2835-78-1 (R)-(-)-1-(1-Naphthyl)ethyl isocyanate42340-98-7 Diphenyl ketoxime574-66-3 Diphenylformamide607-00-1

Elsewhere

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