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

C16H13ClN2O — CID 46587399

IUPAC2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O/c17-15-7-5-12(6-8-15)9-16(20)19-11-14-3-1-13(10-18)2-4-14/h1-8H,9,11H2,(H,19,20)
InChIKeyIWGYJHGESSCUJQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.07
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide (PubChem CID 46587399) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
PubChem CID46587399
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O/c17-15-7-5-12(6-8-15)9-16(20)19-11-14-3-1-13(10-18)2-4-14/h1-8H,9,11H2,(H,19,20)
InChIKeyIWGYJHGESSCUJQ-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 26533303
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide (CID 46587399) is 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide is N#Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
The InChIKey is IWGYJHGESSCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-15-7-5-12(6-8-15)9-16(20)19-11-14-3-1-13(10-18)2-4-14/h1-8H,9,11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide has a molecular weight of 284.75 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 46587399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).