3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide

C21H16FN3O3 — CID 136746485

IUPAC3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H16FN3O3/c22-17-10-8-14(9-11-17)20(27)24-18-6-3-5-15(12-18)21(28)25-23-13-16-4-1-2-7-19(16)26/h1-13,26H,(H,24,27)(H,25,28)/b23-13-
InChIKeyPJDTZONYUALKSM-QRVIBDJDSA-N
MW377.38 g/mol
LogP3.55
Rot. Bonds5

About 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide

3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136746485) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136746485
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H16FN3O3/c22-17-10-8-14(9-11-17)20(27)24-18-6-3-5-15(12-18)21(28)25-23-13-16-4-1-2-7-19(16)26/h1-13,26H,(H,24,27)(H,25,28)/b23-13-
InChIKeyPJDTZONYUALKSM-QRVIBDJDSA-N
XLogP3.55
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.55
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

3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 86809541
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
2-chloro-N-[3-[[(E)-(2-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496124
3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135957409
[2-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126231194
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 136746485) is 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccccc1O)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is PJDTZONYUALKSM-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-17-10-8-14(9-11-17)20(27)24-18-6-3-5-15(12-18)21(28)25-23-13-16-4-1-2-7-19(16)26/h1-13,26H,(H,24,27)(H,25,28)/b23-13-.
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 377.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136746485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).