benzyl N-(4-cyanophenyl)carbamate

C15H12N2O2 — CID 4935649

IUPACbenzyl N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H12N2O2/c16-10-12-6-8-14(9-7-12)17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,11H2,(H,17,18)
InChIKeyXOHXOSDPOGMUMW-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.31
Rot. Bonds3

About benzyl N-(4-cyanophenyl)carbamate

benzyl N-(4-cyanophenyl)carbamate (PubChem CID 4935649) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl N-(4-cyanophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-cyanophenyl)carbamate
PubChem CID4935649
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namebenzyl N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H12N2O2/c16-10-12-6-8-14(9-7-12)17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,11H2,(H,17,18)
InChIKeyXOHXOSDPOGMUMW-UHFFFAOYSA-N
XLogP3.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 8-(4-cyanoanilino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoate
CID 57336557
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-(4-cyano-3-fluorophenyl)carbamate
CID 131116637
benzyl N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate
CID 23906844
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
[(3S)-4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butyl] acetate
CID 10927357
benzyl N-(4-isocyanatophenyl)carbamate
CID 169355606
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-cyanophenyl)carbamate?
The IUPAC name of benzyl N-(4-cyanophenyl)carbamate (CID 4935649) is benzyl N-(4-cyanophenyl)carbamate.
What is the SMILES notation for benzyl N-(4-cyanophenyl)carbamate?
The canonical SMILES for benzyl N-(4-cyanophenyl)carbamate is N#Cc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-cyanophenyl)carbamate?
The InChIKey is XOHXOSDPOGMUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-10-12-6-8-14(9-7-12)17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,11H2,(H,17,18).
What are the key properties of benzyl N-(4-cyanophenyl)carbamate?
benzyl N-(4-cyanophenyl)carbamate has a molecular weight of 252.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-cyanophenyl)carbamate is sourced from PubChem (CID 4935649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).