3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide

C13H17ClN2O2 — CID 79755444

IUPAC3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
SMILESCc1ccccc1CCNC(=O)NC(=O)CCCl
InChIInChI=1S/C13H17ClN2O2/c1-10-4-2-3-5-11(10)7-9-15-13(18)16-12(17)6-8-14/h2-5H,6-9H2,1H3,(H2,15,16,17,18)
InChIKeyFGTDJWXLXCUHNJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.99
Rot. Bonds5

About 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide

3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide (PubChem CID 79755444) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
PubChem CID79755444
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
SMILESCc1ccccc1CCNC(=O)NC(=O)CCCl
InChIInChI=1S/C13H17ClN2O2/c1-10-4-2-3-5-11(10)7-9-15-13(18)16-12(17)6-8-14/h2-5H,6-9H2,1H3,(H2,15,16,17,18)
InChIKeyFGTDJWXLXCUHNJ-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide 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

3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
3-chloro-N-(2-phenylethylcarbamoyl)propanamide
CID 43146230
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide (CID 79755444) is 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide is Cc1ccccc1CCNC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide?
The InChIKey is FGTDJWXLXCUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-10-4-2-3-5-11(10)7-9-15-13(18)16-12(17)6-8-14/h2-5H,6-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide?
3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide is sourced from PubChem (CID 79755444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).