benzyl N-(4-cyano-3-fluorophenyl)carbamate

C15H11FN2O2 — CID 131116637

IUPACbenzyl N-(4-cyano-3-fluorophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCc2ccccc2)cc1F
InChIInChI=1S/C15H11FN2O2/c16-14-8-13(7-6-12(14)9-17)18-15(19)20-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,18,19)
InChIKeyLPYOGPXETLSKQG-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.45
Rot. Bonds3

About benzyl N-(4-cyano-3-fluorophenyl)carbamate

benzyl N-(4-cyano-3-fluorophenyl)carbamate (PubChem CID 131116637) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is benzyl N-(4-cyano-3-fluorophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-cyano-3-fluorophenyl)carbamate
PubChem CID131116637
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Namebenzyl N-(4-cyano-3-fluorophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCc2ccccc2)cc1F
InChIInChI=1S/C15H11FN2O2/c16-14-8-13(7-6-12(14)9-17)18-15(19)20-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,18,19)
InChIKeyLPYOGPXETLSKQG-UHFFFAOYSA-N
XLogP3.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyano-4-(phenylmethoxycarbonylamino)phenyl] acetate
CID 69003019
2-[2-cyano-4-(phenylmethoxycarbonylamino)phenoxy]acetic acid
CID 23062611
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[4-(dimethoxymethyl)-3-fluorophenyl]carbamate
CID 22245060
benzyl N-(3-fluoro-4-tritylsulfanylphenyl)carbamate
CID 22714564
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
CID 11232635
1-O-benzyl 4-O-tert-butyl 2-[(4-cyano-3-fluorophenyl)carbamoyl]piperazine-1,4-dicarboxylate
CID 130221668
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-cyano-3-fluorophenyl)carbamate?
The IUPAC name of benzyl N-(4-cyano-3-fluorophenyl)carbamate (CID 131116637) is benzyl N-(4-cyano-3-fluorophenyl)carbamate.
What is the SMILES notation for benzyl N-(4-cyano-3-fluorophenyl)carbamate?
The canonical SMILES for benzyl N-(4-cyano-3-fluorophenyl)carbamate is N#Cc1ccc(NC(=O)OCc2ccccc2)cc1F.
What is the InChIKey of benzyl N-(4-cyano-3-fluorophenyl)carbamate?
The InChIKey is LPYOGPXETLSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-14-8-13(7-6-12(14)9-17)18-15(19)20-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,18,19).
What are the key properties of benzyl N-(4-cyano-3-fluorophenyl)carbamate?
benzyl N-(4-cyano-3-fluorophenyl)carbamate has a molecular weight of 270.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-cyano-3-fluorophenyl)carbamate is sourced from PubChem (CID 131116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).