3-Fluorobenzamide

C7H6FNOCAS 455-37-8139.13 g/mol

Open in Covalent MOL file
H2NOF
Aryl halide

Properties

Molecular formula
C7H6FNO
Molar mass
139.13 g/mol
Exact mass
139.0433 Da
Melting point
128–129 °C
logP
1.71Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
455-37-8
SMILES
N=C(O)c1cccc(F)c1
InChIKey
YPIGHNIIXYSPKF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

Weigh it out

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Names and synonyms

5 names
  • Benzamide, 3-fluoro-
  • Benzamide, m-fluoro-
  • m-Fluorobenzamide
  • NSC 97485
  • 3-Carbamoyl-1-fluorobenzene

Work with 3-Fluorobenzamide

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

1,3-Benzenedicarboxamide1740-57-472 % similar 3-Bromobenzamide22726-00-760 % similar 3-Chlorobenzamide618-48-460 % similar 3-Aminobenzamide3544-24-958 % similar 3-Methylbenzamide618-47-358 % similar m-(Trifluoromethyl)benzamide1801-10-158 % similar Benzamide55-21-056 % similar 3-Fluorobenzoic acid455-38-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzamide445-28-3 [C(Z)]-4-Fluorobenzaldehyde oxime588-95-4 4-Amino-2-fluorobenzaldehyde777089-27-7 4-Fluorobenzamide824-75-9 2-Acetyl-3-fluoropyridine87674-20-2

Elsewhere

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