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

C23H20FN3O2 — CID 23107274

IUPACN-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C23H20FN3O2/c1-15-10-11-17(12-16(15)2)14-25-27-23(29)20-8-3-4-9-21(20)26-22(28)18-6-5-7-19(24)13-18/h3-14H,1-2H3,(H,26,28)(H,27,29)/b25-14+
InChIKeySMULNQYINABUKE-AFUMVMLFSA-N
MW389.43 g/mol
LogP4.46
Rot. Bonds5

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

N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide (PubChem CID 23107274) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
PubChem CID23107274
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C23H20FN3O2/c1-15-10-11-17(12-16(15)2)14-25-27-23(29)20-8-3-4-9-21(20)26-22(28)18-6-5-7-19(24)13-18/h3-14H,1-2H3,(H,26,28)(H,27,29)/b25-14+
InChIKeySMULNQYINABUKE-AFUMVMLFSA-N
XLogP4.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.46
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-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637366
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
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
CID 23107625

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide (CID 23107274) is N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide?
The InChIKey is SMULNQYINABUKE-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-10-11-17(12-16(15)2)14-25-27-23(29)20-8-3-4-9-21(20)26-22(28)18-6-5-7-19(24)13-18/h3-14H,1-2H3,(H,26,28)(H,27,29)/b25-14+.
What are the key properties of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide?
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 23107274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).