2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide

C22H17ClN4O4 — CID 6088615

IUPAC2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H17ClN4O4/c1-14(16-5-4-6-18(13-16)27(30)31)25-26-22(29)19-7-2-3-8-20(19)24-21(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,28)(H,26,29)/b25-14-
InChIKeyWVGCDPKZOIAMKT-QFEZKATASA-N
MW436.86 g/mol
LogP4.65
Rot. Bonds6

About 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide

2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide (PubChem CID 6088615) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
PubChem CID6088615
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H17ClN4O4/c1-14(16-5-4-6-18(13-16)27(30)31)25-26-22(29)19-7-2-3-8-20(19)24-21(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,28)(H,26,29)/b25-14-
InChIKeyWVGCDPKZOIAMKT-QFEZKATASA-N
XLogP4.65
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 54.65
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-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide (CID 6088615) is 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is WVGCDPKZOIAMKT-QFEZKATASA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-14(16-5-4-6-18(13-16)27(30)31)25-26-22(29)19-7-2-3-8-20(19)24-21(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,28)(H,26,29)/b25-14-.
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide?
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 436.86 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6088615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).