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

C21H15F2N3O2 — CID 23107914

IUPAC2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1ccccc1F
InChIInChI=1S/C21H15F2N3O2/c22-15-7-5-6-14(12-15)13-24-26-21(28)17-9-2-4-11-19(17)25-20(27)16-8-1-3-10-18(16)23/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeyNJZNTLMSEKIFOV-ZMOGYAJESA-N
MW379.37 g/mol
LogP3.98
Rot. Bonds5

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

2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide (PubChem CID 23107914) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
PubChem CID23107914
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1ccccc1F
InChIInChI=1S/C21H15F2N3O2/c22-15-7-5-6-14(12-15)13-24-26-21(28)17-9-2-4-11-19(17)25-20(27)16-8-1-3-10-18(16)23/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeyNJZNTLMSEKIFOV-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

2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107653
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
N-[3-[[(3-bromophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
CID 4913995
N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 1034803
N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide
CID 66638011
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide (CID 23107914) is 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
The InChIKey is NJZNTLMSEKIFOV-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-15-7-5-6-14(12-15)13-24-26-21(28)17-9-2-4-11-19(17)25-20(27)16-8-1-3-10-18(16)23/h1-13H,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of 2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide?
2-[(2-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-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 23107914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).