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

C22H18FN3O2 — CID 23107441

IUPAC2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN3O2/c1-15-6-8-16(9-7-15)14-24-26-22(28)19-4-2-3-5-20(19)25-21(27)17-10-12-18(23)13-11-17/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKeyRBCVIRDUVKJRCE-ZVHZXABRSA-N
MW375.40 g/mol
LogP4.15
Rot. Bonds5

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

2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 23107441) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID23107441
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN3O2/c1-15-6-8-16(9-7-15)14-24-26-22(28)19-4-2-3-5-20(19)25-21(27)17-10-12-18(23)13-11-17/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKeyRBCVIRDUVKJRCE-ZVHZXABRSA-N
XLogP4.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.15
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-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
2-[(4-fluorobenzoyl)amino]-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3671539
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
CID 94831822
2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 126007946

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (CID 23107441) is 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is RBCVIRDUVKJRCE-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-15-6-8-16(9-7-15)14-24-26-22(28)19-4-2-3-5-20(19)25-21(27)17-10-12-18(23)13-11-17/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+.
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 375.40 g/mol, XLogP of 4.15, 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)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 23107441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).