2-chloro-N-(2-formylphenyl)acetamide

C9H8ClNO2 — CID 12533349

IUPAC2-chloro-N-(2-formylphenyl)acetamide
SMILESO=Cc1ccccc1NC(=O)CCl
InChIInChI=1S/C9H8ClNO2/c10-5-9(13)11-8-4-2-1-3-7(8)6-12/h1-4,6H,5H2,(H,11,13)
InChIKeyMWSXITIIMUTWJU-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.68
Rot. Bonds3

About 2-chloro-N-(2-formylphenyl)acetamide

2-chloro-N-(2-formylphenyl)acetamide (PubChem CID 12533349) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-chloro-N-(2-formylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-formylphenyl)acetamide
PubChem CID12533349
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-chloro-N-(2-formylphenyl)acetamide
SMILESO=Cc1ccccc1NC(=O)CCl
InChIInChI=1S/C9H8ClNO2/c10-5-9(13)11-8-4-2-1-3-7(8)6-12/h1-4,6H,5H2,(H,11,13)
InChIKeyMWSXITIIMUTWJU-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-formylphenyl)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

ethane;N-(2-formylphenyl)acetamide
CID 142055624
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide
CID 13350316
N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
N-(2-ethenylphenyl)pent-4-enamide
CID 71373130
2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide
CID 16679797
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
N-(2-butylphenyl)-2-chloroacetamide
CID 150293597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-formylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-formylphenyl)acetamide (CID 12533349) is 2-chloro-N-(2-formylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-formylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-formylphenyl)acetamide is O=Cc1ccccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-formylphenyl)acetamide?
The InChIKey is MWSXITIIMUTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-5-9(13)11-8-4-2-1-3-7(8)6-12/h1-4,6H,5H2,(H,11,13).
What are the key properties of 2-chloro-N-(2-formylphenyl)acetamide?
2-chloro-N-(2-formylphenyl)acetamide has a molecular weight of 197.62 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-formylphenyl)acetamide is sourced from PubChem (CID 12533349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).