benzyl N-[cyano(phenyl)methyl]carbamate

C16H14N2O2 — CID 3745043

IUPACbenzyl N-[cyano(phenyl)methyl]carbamate
SMILESN#CC(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,12H2,(H,18,19)
InChIKeyNRGHTWNHDZVHAT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.18
Rot. Bonds4

About benzyl N-[cyano(phenyl)methyl]carbamate

benzyl N-[cyano(phenyl)methyl]carbamate (PubChem CID 3745043) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-[cyano(phenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[cyano(phenyl)methyl]carbamate
PubChem CID3745043
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namebenzyl N-[cyano(phenyl)methyl]carbamate
SMILESN#CC(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,12H2,(H,18,19)
InChIKeyNRGHTWNHDZVHAT-UHFFFAOYSA-N
XLogP3.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[cyano(phenyl)methyl]carbamate?
The IUPAC name of benzyl N-[cyano(phenyl)methyl]carbamate (CID 3745043) is benzyl N-[cyano(phenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[cyano(phenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[cyano(phenyl)methyl]carbamate is N#CC(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[cyano(phenyl)methyl]carbamate?
The InChIKey is NRGHTWNHDZVHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,12H2,(H,18,19).
What are the key properties of benzyl N-[cyano(phenyl)methyl]carbamate?
benzyl N-[cyano(phenyl)methyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[cyano(phenyl)methyl]carbamate is sourced from PubChem (CID 3745043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).