4-cyano-N-[cyano(phenyl)methyl]benzamide

C16H11N3O — CID 60659354

IUPAC4-cyano-N-[cyano(phenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NC(C#N)c2ccccc2)cc1
InChIInChI=1S/C16H11N3O/c17-10-12-6-8-14(9-7-12)16(20)19-15(11-18)13-4-2-1-3-5-13/h1-9,15H,(H,19,20)
InChIKeyCVBZQOXXFUJFKU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.55
Rot. Bonds3

About 4-cyano-N-[cyano(phenyl)methyl]benzamide

4-cyano-N-[cyano(phenyl)methyl]benzamide (PubChem CID 60659354) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-cyano-N-[cyano(phenyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[cyano(phenyl)methyl]benzamide
PubChem CID60659354
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name4-cyano-N-[cyano(phenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NC(C#N)c2ccccc2)cc1
InChIInChI=1S/C16H11N3O/c17-10-12-6-8-14(9-7-12)16(20)19-15(11-18)13-4-2-1-3-5-13/h1-9,15H,(H,19,20)
InChIKeyCVBZQOXXFUJFKU-UHFFFAOYSA-N
XLogP2.55
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
CID 103605980
N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide
CID 121264724
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[cyano(phenyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[cyano(phenyl)methyl]benzamide (CID 60659354) is 4-cyano-N-[cyano(phenyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[cyano(phenyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[cyano(phenyl)methyl]benzamide is N#Cc1ccc(C(=O)NC(C#N)c2ccccc2)cc1.
What is the InChIKey of 4-cyano-N-[cyano(phenyl)methyl]benzamide?
The InChIKey is CVBZQOXXFUJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-10-12-6-8-14(9-7-12)16(20)19-15(11-18)13-4-2-1-3-5-13/h1-9,15H,(H,19,20).
What are the key properties of 4-cyano-N-[cyano(phenyl)methyl]benzamide?
4-cyano-N-[cyano(phenyl)methyl]benzamide has a molecular weight of 261.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[cyano(phenyl)methyl]benzamide is sourced from PubChem (CID 60659354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).