4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

C21H15ClN4O4 — CID 6435601

IUPAC4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClN4O4/c22-17-8-4-15(5-9-17)20(27)24-18-10-6-16(7-11-18)21(28)25-23-13-14-2-1-3-19(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13-
InChIKeyFPJNBWBCPRPJTP-QRVIBDJDSA-N
MW422.83 g/mol
LogP4.26
Rot. Bonds6

About 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 6435601) has the molecular formula C21H15ClN4O4 and a molecular weight of 422.83 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID6435601
Molecular FormulaC21H15ClN4O4
Molecular Weight422.83 g/mol
Exact Mass422.08
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClN4O4/c22-17-8-4-15(5-9-17)20(27)24-18-10-6-16(7-11-18)21(28)25-23-13-14-2-1-3-19(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13-
InChIKeyFPJNBWBCPRPJTP-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

4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
N-[4-[[(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 171135939
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
4-chloro-N-[3-methyl-1-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4683808
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
[2-[(E)-[[4-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-4-nitrophenyl] (E)-3-phenylprop-2-enoate
CID 126230030

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (CID 6435601) is 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is FPJNBWBCPRPJTP-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H15ClN4O4/c22-17-8-4-15(5-9-17)20(27)24-18-10-6-16(7-11-18)21(28)25-23-13-14-2-1-3-19(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13-.
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
4-[(4-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 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6435601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).