2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide

C15H13ClN4O3 — CID 5392445

IUPAC2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN4O3/c16-12-3-5-13(6-4-12)17-10-15(21)19-18-9-11-1-7-14(8-2-11)20(22)23/h1-9,17H,10H2,(H,19,21)/b18-9-
InChIKeyJXSPZZWYPSDCHI-NVMNQCDNSA-N
MW332.75 g/mol
LogP2.81
Rot. Bonds6

About 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide

2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 5392445) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
PubChem CID5392445
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN4O3/c16-12-3-5-13(6-4-12)17-10-15(21)19-18-9-11-1-7-14(8-2-11)20(22)23/h1-9,17H,10H2,(H,19,21)/b18-9-
InChIKeyJXSPZZWYPSDCHI-NVMNQCDNSA-N
XLogP2.81
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7073727
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
2-(4-chloroanilino)-N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126371268
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
CID 5015504
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
2-chloro-N-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3125178

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide (CID 5392445) is 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is JXSPZZWYPSDCHI-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-12-3-5-13(6-4-12)17-10-15(21)19-18-9-11-1-7-14(8-2-11)20(22)23/h1-9,17H,10H2,(H,19,21)/b18-9-.
What are the key properties of 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 332.75 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5392445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).