2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide

C17H16N2O — CID 62403486

IUPAC2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h2-9H,10,12H2,1H3,(H,19,20)
InChIKeyDNMNNGPTRADSKN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide

2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 62403486) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID62403486
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h2-9H,10,12H2,1H3,(H,19,20)
InChIKeyDNMNNGPTRADSKN-UHFFFAOYSA-N
XLogP2.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46591179
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 63374945
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 62403486) is 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DNMNNGPTRADSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h2-9H,10,12H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 62403486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).