Pencycuron

C₁₉H₂₁ClN₂OCAS 66063-05-6328.84 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₁ClN₂O
Molar mass: 328.84 g/mol
Exact mass: 328.1342 Da
Melting point: 130 °C
logP: 5.33Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 616-220-00-0), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

66063-05-6

SMILES

OC(=Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1

InChIKey

OGYFATSSENRIKG-UHFFFAOYSA-N

InChI

InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Urea, N-[(4-chlorophenyl)methyl]-N-cyclopentyl-N′-phenyl-
N-[(4-Chlorophenyl)methyl]-N-cyclopentyl-N′-phenylurea
NTN 19701
Monceren
Monceraen 250SC

Work with Pencycuron

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

N-Benzyl-4-chloro-N-cyclohexylbenzamide945714-67-055 % similar Fenuron101-42-838 % similar (4-Chlorophenyl)phenylmethane831-81-235 % similar 5-Chlorosalicylanilide4638-48-634 % similar [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-433 % similar 4-Chlorobenzenepropanol6282-88-833 % similar 1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid96449-92-233 % similar cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid51591-75-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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