2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

C21H15ClN4O4 — CID 94849409

IUPAC2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C21H15ClN4O4/c22-18-10-3-1-8-16(18)20(27)24-19-11-4-2-9-17(19)21(28)25-23-13-14-6-5-7-15(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13-
InChIKeyBTLZYBBILJVWAJ-QRVIBDJDSA-N
MW422.83 g/mol
LogP4.26
Rot. Bonds6

About 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 94849409) has the molecular formula C21H15ClN4O4 and a molecular weight of 422.83 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID94849409
Molecular FormulaC21H15ClN4O4
Molecular Weight422.83 g/mol
Exact Mass422.08
IUPAC Name2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C21H15ClN4O4/c22-18-10-3-1-8-16(18)20(27)24-19-11-4-2-9-17(19)21(28)25-23-13-14-6-5-7-15(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13-
InChIKeyBTLZYBBILJVWAJ-QRVIBDJDSA-N
XLogP4.26
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 54.26
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'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 6010711
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
CID 3282257
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (CID 94849409) is 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is BTLZYBBILJVWAJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H15ClN4O4/c22-18-10-3-1-8-16(18)20(27)24-19-11-4-2-9-17(19)21(28)25-23-13-14-6-5-7-15(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13-.
What are the key properties of 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 422.83 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 94849409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).