2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide

C21H15F2N3O2 — CID 23108146

IUPAC2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15F2N3O2/c22-16-10-8-15(9-11-16)20(27)25-19-7-2-1-6-18(19)21(28)26-24-13-14-4-3-5-17(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeyJBBQIARNHPTIPC-ZMOGYAJESA-N
MW379.37 g/mol
LogP3.98
Rot. Bonds5

About 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide

2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide (PubChem CID 23108146) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
PubChem CID23108146
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15F2N3O2/c22-16-10-8-15(9-11-16)20(27)25-19-7-2-1-6-18(19)21(28)26-24-13-14-4-3-5-17(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeyJBBQIARNHPTIPC-ZMOGYAJESA-N
XLogP3.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107653
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1237415
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide (CID 23108146) is 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
The InChIKey is JBBQIARNHPTIPC-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-16-10-8-15(9-11-16)20(27)25-19-7-2-1-6-18(19)21(28)26-24-13-14-4-3-5-17(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide has a molecular weight of 379.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 23108146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).