[cyano(diphenyl)methyl]carbamic acid

C15H12N2O2 — CID 135056322

IUPAC[cyano(diphenyl)methyl]carbamic acid
SMILESN#CC(NC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O2/c16-11-15(17-14(18)19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,(H,18,19)
InChIKeyQIMXHFNGKFHCGW-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.72
Rot. Bonds3

About [cyano(diphenyl)methyl]carbamic acid

[cyano(diphenyl)methyl]carbamic acid (PubChem CID 135056322) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is [cyano(diphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[cyano(diphenyl)methyl]carbamic acid
PubChem CID135056322
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name[cyano(diphenyl)methyl]carbamic acid
SMILESN#CC(NC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O2/c16-11-15(17-14(18)19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,(H,18,19)
InChIKeyQIMXHFNGKFHCGW-UHFFFAOYSA-N
XLogP2.72
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropan-2-ylcarbamic acid
CID 23445609
N-[dihydroxy(phenyl)methyl]prop-2-enamide
CID 155683465
2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
CID 174189297
N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 62707555
1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
CID 141319600
2,2-dicyano-N,N-dimethyl-2-phenylacetamide
CID 19919955
Se-methyl 2-cyano-2-phenylpropaneselenoate
CID 15778728
2-hydroxy-2-phenyl-2-sulfanylacetonitrile
CID 54416139
methyl 2-cyano-3-methyl-2-phenylbutanoate
CID 141339587
methyl (2S)-2-cyano-2-phenylbutanoate
CID 12851218
2-cyano-2-phenoxy-2-phenylacetic acid
CID 66769789

Frequently Asked Questions

What is the IUPAC name of [cyano(diphenyl)methyl]carbamic acid?
The IUPAC name of [cyano(diphenyl)methyl]carbamic acid (CID 135056322) is [cyano(diphenyl)methyl]carbamic acid.
What is the SMILES notation for [cyano(diphenyl)methyl]carbamic acid?
The canonical SMILES for [cyano(diphenyl)methyl]carbamic acid is N#CC(NC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [cyano(diphenyl)methyl]carbamic acid?
The InChIKey is QIMXHFNGKFHCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-11-15(17-14(18)19,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,(H,18,19).
What are the key properties of [cyano(diphenyl)methyl]carbamic acid?
[cyano(diphenyl)methyl]carbamic acid has a molecular weight of 252.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(diphenyl)methyl]carbamic acid is sourced from PubChem (CID 135056322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).