2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide

C17H17ClN4O4 — CID 126365422

IUPAC2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CNc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN4O4/c1-11(12-3-8-16(26-2)15(9-12)22(24)25)20-21-17(23)10-19-14-6-4-13(18)5-7-14/h3-9,19H,10H2,1-2H3,(H,21,23)/b20-11-
InChIKeyFHQKDSPGYBCRSQ-JAIQZWGSSA-N
MW376.80 g/mol
LogP3.21
Rot. Bonds7

About 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide

2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 126365422) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
PubChem CID126365422
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CNc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN4O4/c1-11(12-3-8-16(26-2)15(9-12)22(24)25)20-21-17(23)10-19-14-6-4-13(18)5-7-14/h3-9,19H,10H2,1-2H3,(H,21,23)/b20-11-
InChIKeyFHQKDSPGYBCRSQ-JAIQZWGSSA-N
XLogP3.21
TPSA105.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]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-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
4-chloro-N-[2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6062749
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 1113261
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
CID 5334872
N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126156130
2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
CID 48917207
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide
CID 29225122
4-chloro-N-[2-[2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3330849

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide (CID 126365422) is 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N\NC(=O)CNc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is FHQKDSPGYBCRSQ-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c1-11(12-3-8-16(26-2)15(9-12)22(24)25)20-21-17(23)10-19-14-6-4-13(18)5-7-14/h3-9,19H,10H2,1-2H3,(H,21,23)/b20-11-.
What are the key properties of 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide?
2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 376.80 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 126365422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).