4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

C21H16ClN3O3 — CID 135568391

IUPAC4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O3/c22-17-9-5-14(6-10-17)20(27)24-18-11-7-15(8-12-18)21(28)25-23-13-16-3-1-2-4-19(16)26/h1-13,26H,(H,24,27)(H,25,28)/b23-13+
InChIKeyQXZOTBUQCMVXIY-YDZHTSKRSA-N
MW393.83 g/mol
LogP4.06
Rot. Bonds5

About 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135568391) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135568391
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O3/c22-17-9-5-14(6-10-17)20(27)24-18-11-7-15(8-12-18)21(28)25-23-13-16-3-1-2-4-19(16)26/h1-13,26H,(H,24,27)(H,25,28)/b23-13+
InChIKeyQXZOTBUQCMVXIY-YDZHTSKRSA-N
XLogP4.06
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
4-Chloro-benzoic acid 2-[(4-acetylamino-benzoyl)-hydrazonomethyl]-phenyl ester
CID 6871629
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-3-hydroxybenzamide
CID 6893133
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
3-Chloro-N-(3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135616997
6-chloro-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156011938
4-chloro-N-{3-[N-(4-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 25806158

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135568391) is 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is QXZOTBUQCMVXIY-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c22-17-9-5-14(6-10-17)20(27)24-18-11-7-15(8-12-18)21(28)25-23-13-16-3-1-2-4-19(16)26/h1-13,26H,(H,24,27)(H,25,28)/b23-13+.
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 393.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135568391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).