2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

C15H13FN2O — CID 6907981

IUPAC2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccccc2F)c1
InChIInChI=1S/C15H13FN2O/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyHUXJXDMXFUXDJZ-LICLKQGHSA-N
MW256.28 g/mol
LogP2.90
Rot. Bonds3

About 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 6907981) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID6907981
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccccc2F)c1
InChIInChI=1S/C15H13FN2O/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyHUXJXDMXFUXDJZ-LICLKQGHSA-N
XLogP2.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 3426419
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
CID 67494279
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (CID 6907981) is 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N/NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is HUXJXDMXFUXDJZ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-11-5-4-6-12(9-11)10-17-18-15(19)13-7-2-3-8-14(13)16/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 256.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6907981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).