N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C13H13ClN4O4 — CID 707268

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1Cl
InChIInChI=1S/C13H13ClN4O4/c1-8-15-6-13(18(20)21)17(8)7-12(19)16-9-3-4-11(22-2)10(14)5-9/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyFISFLMANQQFKGL-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.40
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 707268) has the molecular formula C13H13ClN4O4 and a molecular weight of 324.72 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID707268
Molecular FormulaC13H13ClN4O4
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1Cl
InChIInChI=1S/C13H13ClN4O4/c1-8-15-6-13(18(20)21)17(8)7-12(19)16-9-3-4-11(22-2)10(14)5-9/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyFISFLMANQQFKGL-UHFFFAOYSA-N
XLogP2.40
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)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-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 1309422
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methoxyphenylcarbamate
CID 4454571
N-[4-(4-chlorophenoxy)phenyl]-2-(2-nitroimidazol-1-yl)acetamide
CID 122188144
N-(2-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 890047
N-[3-(2,4-Dichloro-phenoxy)-5-nitro-phenyl]-2-(4-nitro-imidazol-1-yl)-acetamide
CID 3103704
N-(2,4-dimethoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 832327
N-{4-[chloro(difluoro)methoxy]phenyl}-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 1260725
N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2849330
N-(3-Chloro-4-methoxyphenyl)-5H,6H,7H,8H-imidazo[1,2-A]pyridine-2-carboxamide
CID 53167880
N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide
CID 134816349
N-(5-chloro-2,4-dimethoxyphenyl)-2-imidazol-1-ylacetamide
CID 41673824
1-[3-Chloro-4-(trifluoromethoxy)phenyl]-4-nitroimidazole
CID 142498364

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 707268) is N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is FISFLMANQQFKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4/c1-8-15-6-13(18(20)21)17(8)7-12(19)16-9-3-4-11(22-2)10(14)5-9/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 324.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).