N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C14H15ClN4O5 — CID 1309422

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN4O5/c1-8-16-6-14(19(21)22)18(8)7-13(20)17-10-5-11(23-2)9(15)4-12(10)24-3/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyAEPXQEUDOYILBH-UHFFFAOYSA-N
MW354.75 g/mol
LogP2.41
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 1309422) has the molecular formula C14H15ClN4O5 and a molecular weight of 354.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID1309422
Molecular FormulaC14H15ClN4O5
Molecular Weight354.75 g/mol
Exact Mass354.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN4O5/c1-8-16-6-14(19(21)22)18(8)7-13(20)17-10-5-11(23-2)9(15)4-12(10)24-3/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyAEPXQEUDOYILBH-UHFFFAOYSA-N
XLogP2.41
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 1309422) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is COc1cc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is AEPXQEUDOYILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O5/c1-8-16-6-14(19(21)22)18(8)7-13(20)17-10-5-11(23-2)9(15)4-12(10)24-3/h4-6H,7H2,1-3H3,(H,17,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 354.75 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 1309422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).