N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide

C12H15ClN2O3 — CID 43236542

IUPACN-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCCl
InChIInChI=1S/C12H15ClN2O3/c1-8(16)14-9-3-4-11(18-2)10(7-9)15-12(17)5-6-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVXHNUZDZQUMILM-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.22
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide

N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide (PubChem CID 43236542) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
PubChem CID43236542
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCCl
InChIInChI=1S/C12H15ClN2O3/c1-8(16)14-9-3-4-11(18-2)10(7-9)15-12(17)5-6-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVXHNUZDZQUMILM-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-acetamido-2-methoxyphenyl)-3-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

N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17481718
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27155299
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide (CID 43236542) is N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide is COc1ccc(NC(C)=O)cc1NC(=O)CCCl.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide?
The InChIKey is VXHNUZDZQUMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(16)14-9-3-4-11(18-2)10(7-9)15-12(17)5-6-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide?
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide has a molecular weight of 270.72 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide is sourced from PubChem (CID 43236542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).