2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide

C15H13ClN4O3 — CID 679045

IUPAC2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN4O3/c16-13-7-6-11(8-14(13)20(22)23)9-18-19-15(21)10-17-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,19,21)
InChIKeyNJAAOPVIGXFYKC-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.81
Rot. Bonds6

About 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide

2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide (PubChem CID 679045) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
PubChem CID679045
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN4O3/c16-13-7-6-11(8-14(13)20(22)23)9-18-19-15(21)10-17-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,19,21)
InChIKeyNJAAOPVIGXFYKC-UHFFFAOYSA-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

N-benzyl-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3282009
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3896969
(E)-N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 19165148
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
CID 126106489
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255
N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 758785
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
1-benzyl-3-[(4-chloro-3-nitrophenyl)methylideneamino]thiourea
CID 3295851

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide (CID 679045) is 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide is O=C(CNc1ccccc1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is NJAAOPVIGXFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-13-7-6-11(8-14(13)20(22)23)9-18-19-15(21)10-17-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,19,21).
What are the key properties of 2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide?
2-anilino-N-[(4-chloro-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-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 679045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).