N-(5-acetamido-2-methylphenyl)-2-chloropropanamide

C12H15ClN2O2 — CID 43696197

IUPACN-(5-acetamido-2-methylphenyl)-2-chloropropanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(C)Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-7-4-5-10(14-9(3)16)6-11(7)15-12(17)8(2)13/h4-6,8H,1-3H3,(H,14,16)(H,15,17)
InChIKeyUQASZZXSILQDTF-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.52
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-2-chloropropanamide

N-(5-acetamido-2-methylphenyl)-2-chloropropanamide (PubChem CID 43696197) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-chloropropanamide
PubChem CID43696197
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-chloropropanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(C)Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-7-4-5-10(14-9(3)16)6-11(7)15-12(17)8(2)13/h4-6,8H,1-3H3,(H,14,16)(H,15,17)
InChIKeyUQASZZXSILQDTF-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-acetamido-2-methylphenyl)-2-chloropropanamide 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

2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
methyl 2-(5-acetamido-2-methylanilino)propanoate
CID 66174130
5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62964215

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-chloropropanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-chloropropanamide (CID 43696197) is N-(5-acetamido-2-methylphenyl)-2-chloropropanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-chloropropanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-chloropropanamide is CC(=O)Nc1ccc(C)c(NC(=O)C(C)Cl)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-chloropropanamide?
The InChIKey is UQASZZXSILQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-4-5-10(14-9(3)16)6-11(7)15-12(17)8(2)13/h4-6,8H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-chloropropanamide?
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide has a molecular weight of 254.72 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-chloropropanamide is sourced from PubChem (CID 43696197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).