2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide

C13H17ClN2O2 — CID 43328847

IUPAC2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C13H17ClN2O2/c1-8(2)10-6-4-5-7-11(10)15-13(18)16-12(17)9(3)14/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyNBBIAHNENWPFCI-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.09
Rot. Bonds3

About 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide

2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide (PubChem CID 43328847) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
PubChem CID43328847
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C13H17ClN2O2/c1-8(2)10-6-4-5-7-11(10)15-13(18)16-12(17)9(3)14/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyNBBIAHNENWPFCI-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]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

(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea
CID 108914569
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide (CID 43328847) is 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide?
The InChIKey is NBBIAHNENWPFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)10-6-4-5-7-11(10)15-13(18)16-12(17)9(3)14/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide?
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43328847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).