N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide

C15H13Cl2N3O4 — CID 26438803

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13Cl2N3O4/c1-24-14-5-2-9(16)6-12(14)19-15(21)8-18-10-3-4-11(17)13(7-10)20(22)23/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyFDYOKBYMSBWAEI-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.96
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide (PubChem CID 26438803) has the molecular formula C15H13Cl2N3O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide
PubChem CID26438803
Molecular FormulaC15H13Cl2N3O4
Molecular Weight370.19 g/mol
Exact Mass369.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13Cl2N3O4/c1-24-14-5-2-9(16)6-12(14)19-15(21)8-18-10-3-4-11(17)13(7-10)20(22)23/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyFDYOKBYMSBWAEI-UHFFFAOYSA-N
XLogP3.96
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
N-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327874
2-(4-chloro-3-nitroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823710
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008895
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438778
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide (CID 26438803) is N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide is COc1ccc(Cl)cc1NC(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide?
The InChIKey is FDYOKBYMSBWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4/c1-24-14-5-2-9(16)6-12(14)19-15(21)8-18-10-3-4-11(17)13(7-10)20(22)23/h2-7,18H,8H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide has a molecular weight of 370.19 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide is sourced from PubChem (CID 26438803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).