2-(4-chlorophenyl)-N-(cyanomethyl)acetamide

C10H9ClN2O — CID 4630629

IUPAC2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-10(14)13-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyNQMNWSCZWDZVON-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide

2-(4-chlorophenyl)-N-(cyanomethyl)acetamide (PubChem CID 4630629) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
PubChem CID4630629
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-10(14)13-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyNQMNWSCZWDZVON-UHFFFAOYSA-N
XLogP1.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
CID 15457246
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
methyl 3-(4-chlorophenyl)-2-oxopropanoate
CID 8008517

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide (CID 4630629) is 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide?
The InChIKey is NQMNWSCZWDZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-10(14)13-6-5-12/h1-4H,6-7H2,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide?
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide has a molecular weight of 208.65 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 4630629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).