N-[(4-chlorophenyl)methyl]-2-cyanoacetamide

C10H9ClN2O — CID 690673

IUPACN-[(4-chlorophenyl)methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14)
InChIKeyUKKHUKFEKBKULS-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.87
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-cyanoacetamide

N-[(4-chlorophenyl)methyl]-2-cyanoacetamide (PubChem CID 690673) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-cyanoacetamide
PubChem CID690673
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC NameN-[(4-chlorophenyl)methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14)
InChIKeyUKKHUKFEKBKULS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-cyanoacetamide 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

Beclamide
CID 10391
Diclocymet
CID 11527333
2-(4-Chlorophenyl)-6-(methylthio)-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile
CID 2803185
N-benzyl-2-cyanoacetamide
CID 668298
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
Ro 16-6491
CID 4289
Benzamide, N-(2-aminoethyl)-4-chloro-, hydrochloride (1:1)
CID 5702251
2-chloro-N-[(2-chlorophenyl)methyl]acetamide
CID 144398
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-cyanoacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-cyanoacetamide (CID 690673) is N-[(4-chlorophenyl)methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-cyanoacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-cyanoacetamide is N#CCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-cyanoacetamide?
The InChIKey is UKKHUKFEKBKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-cyanoacetamide?
N-[(4-chlorophenyl)methyl]-2-cyanoacetamide has a molecular weight of 208.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-cyanoacetamide is sourced from PubChem (CID 690673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).