2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

C15H13ClN4O3 — CID 5390803

IUPAC2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN4O3/c16-12-4-6-13(7-5-12)17-10-15(21)19-18-9-11-2-1-3-14(8-11)20(22)23/h1-9,17H,10H2,(H,19,21)/b18-9-
InChIKeyTYJBEEYVKBOMIZ-NVMNQCDNSA-N
MW332.75 g/mol
LogP2.81
Rot. Bonds6

About 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 5390803) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID5390803
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN4O3/c16-12-4-6-13(7-5-12)17-10-15(21)19-18-9-11-2-1-3-14(8-11)20(22)23/h1-9,17H,10H2,(H,19,21)/b18-9-
InChIKeyTYJBEEYVKBOMIZ-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-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 6112599
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7073727
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
2-(3-nitroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 58897637
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (CID 5390803) is 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is TYJBEEYVKBOMIZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-12-4-6-13(7-5-12)17-10-15(21)19-18-9-11-2-1-3-14(8-11)20(22)23/h1-9,17H,10H2,(H,19,21)/b18-9-.
What are the key properties of 2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(Z)-(3-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)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5390803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).