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

C22H18FN3O3 — CID 23107609

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(F)c2)cc1
InChIInChI=1S/C22H18FN3O3/c1-29-18-11-9-16(10-12-18)21(27)25-20-8-3-2-7-19(20)22(28)26-24-14-15-5-4-6-17(23)13-15/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKeyBVRRJDFPJNAIJN-ZVHZXABRSA-N
MW391.40 g/mol
LogP3.85
Rot. Bonds6

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

N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 23107609) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID23107609
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(F)c2)cc1
InChIInChI=1S/C22H18FN3O3/c1-29-18-11-9-16(10-12-18)21(27)25-20-8-3-2-7-19(20)22(28)26-24-14-15-5-4-6-17(23)13-15/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKeyBVRRJDFPJNAIJN-ZVHZXABRSA-N
XLogP3.85
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107653
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 136914355
2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 4997386
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 1034803

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide (CID 23107609) is N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(F)c2)cc1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is BVRRJDFPJNAIJN-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-29-18-11-9-16(10-12-18)21(27)25-20-8-3-2-7-19(20)22(28)26-24-14-15-5-4-6-17(23)13-15/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 391.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 23107609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).