2-chloro-N-(phenylcarbamoyl)acetamide

C9H9ClN2O2 — CID 10976790

IUPAC2-chloro-N-(phenylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)Nc1ccccc1
InChIInChI=1S/C9H9ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)
InChIKeyWYESSOGZWOBKGU-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-N-(phenylcarbamoyl)acetamide

2-chloro-N-(phenylcarbamoyl)acetamide (PubChem CID 10976790) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(phenylcarbamoyl)acetamide
PubChem CID10976790
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-N-(phenylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)Nc1ccccc1
InChIInChI=1S/C9H9ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)
InChIKeyWYESSOGZWOBKGU-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(phenylcarbamoyl)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-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
CID 43328952
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
1-(2-hydroxyethyl)-3-(phenylcarbamoyl)urea
CID 24738766
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
2-chloro-N-[(2-phenoxyphenyl)carbamoyl]acetamide
CID 43328802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(phenylcarbamoyl)acetamide (CID 10976790) is 2-chloro-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(phenylcarbamoyl)acetamide is O=C(CCl)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-chloro-N-(phenylcarbamoyl)acetamide?
The InChIKey is WYESSOGZWOBKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-(phenylcarbamoyl)acetamide?
2-chloro-N-(phenylcarbamoyl)acetamide has a molecular weight of 212.64 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 10976790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).