2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide

C12H13ClN2O — CID 55209733

IUPAC2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
SMILESCC(CC#N)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-9(6-7-14)15-12(16)8-10-2-4-11(13)5-3-10/h2-5,9H,6,8H2,1H3,(H,15,16)
InChIKeyBGEDDYPEHFMMJQ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide

2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide (PubChem CID 55209733) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
PubChem CID55209733
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
SMILESCC(CC#N)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-9(6-7-14)15-12(16)8-10-2-4-11(13)5-3-10/h2-5,9H,6,8H2,1H3,(H,15,16)
InChIKeyBGEDDYPEHFMMJQ-UHFFFAOYSA-N
XLogP2.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)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

N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide (CID 55209733) is 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide is CC(CC#N)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide?
The InChIKey is BGEDDYPEHFMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9(6-7-14)15-12(16)8-10-2-4-11(13)5-3-10/h2-5,9H,6,8H2,1H3,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide?
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide has a molecular weight of 236.70 g/mol, XLogP of 2.30, 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-(1-cyanopropan-2-yl)acetamide is sourced from PubChem (CID 55209733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).