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

C16H14N2O — CID 2832029

IUPACN-[4-[cyano(phenyl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C#N)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c1-12(19)18-15-9-7-14(8-10-15)16(11-17)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,18,19)
InChIKeyVHHKZDKTYNLHDR-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.30
Rot. Bonds3

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

N-[4-[cyano(phenyl)methyl]phenyl]acetamide (PubChem CID 2832029) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-[cyano(phenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyano(phenyl)methyl]phenyl]acetamide
PubChem CID2832029
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-[4-[cyano(phenyl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C#N)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c1-12(19)18-15-9-7-14(8-10-15)16(11-17)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,18,19)
InChIKeyVHHKZDKTYNLHDR-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
CID 42959795
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide
CID 21483159
cobalt;N-phenylacetamide
CID 158689050
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
N-(4-phenylphenyl)acetamide
CID 19998
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
N-(4-acetamidophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 47839295
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano(phenyl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyano(phenyl)methyl]phenyl]acetamide (CID 2832029) is N-[4-[cyano(phenyl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyano(phenyl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyano(phenyl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(C(C#N)c2ccccc2)cc1.
What is the InChIKey of N-[4-[cyano(phenyl)methyl]phenyl]acetamide?
The InChIKey is VHHKZDKTYNLHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12(19)18-15-9-7-14(8-10-15)16(11-17)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,18,19).
What are the key properties of N-[4-[cyano(phenyl)methyl]phenyl]acetamide?
N-[4-[cyano(phenyl)methyl]phenyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano(phenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 2832029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).