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

C22H17ClN4O4 — CID 86809585

IUPAC3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17ClN4O4/c1-14(15-8-10-20(11-9-15)27(30)31)25-26-22(29)17-5-3-7-19(13-17)24-21(28)16-4-2-6-18(23)12-16/h2-13H,1H3,(H,24,28)(H,26,29)
InChIKeyKNEZBECJLQWSDE-UHFFFAOYSA-N
MW436.86 g/mol
LogP4.65
Rot. Bonds6

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

3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 86809585) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID86809585
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17ClN4O4/c1-14(15-8-10-20(11-9-15)27(30)31)25-26-22(29)17-5-3-7-19(13-17)24-21(28)16-4-2-6-18(23)12-16/h2-13H,1H3,(H,24,28)(H,26,29)
InChIKeyKNEZBECJLQWSDE-UHFFFAOYSA-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

3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 24705666
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (CID 86809585) is 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is KNEZBECJLQWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-14(15-8-10-20(11-9-15)27(30)31)25-26-22(29)17-5-3-7-19(13-17)24-21(28)16-4-2-6-18(23)12-16/h2-13H,1H3,(H,24,28)(H,26,29).
What are the key properties of 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
3-[(3-chlorobenzoyl)amino]-N-[1-(4-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 3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 86809585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).