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

C22H18FN3O3 — CID 86809552

IUPAC4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H18FN3O3/c1-29-20-4-2-3-15(13-20)14-24-26-22(28)17-7-11-19(12-8-17)25-21(27)16-5-9-18(23)10-6-16/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKeyLYAWOVUJUJEQRU-ZVHZXABRSA-N
MW391.40 g/mol
LogP3.85
Rot. Bonds6

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

4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 86809552) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
PubChem CID86809552
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H18FN3O3/c1-29-20-4-2-3-15(13-20)14-24-26-22(28)17-7-11-19(12-8-17)25-21(27)16-5-9-18(23)10-6-16/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKeyLYAWOVUJUJEQRU-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

N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 75306200
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (CID 86809552) is 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is LYAWOVUJUJEQRU-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-29-20-4-2-3-15(13-20)14-24-26-22(28)17-7-11-19(12-8-17)25-21(27)16-5-9-18(23)10-6-16/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+.
What are the key properties of 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]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 4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 86809552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).