3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

C15H13FN2O — CID 5412010

IUPAC3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O/c1-11-4-2-5-12(8-11)10-17-18-15(19)13-6-3-7-14(16)9-13/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyUSZWLWBSAARQRT-YVLHZVERSA-N
MW256.28 g/mol
LogP2.90
Rot. Bonds3

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

3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 5412010) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID5412010
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O/c1-11-4-2-5-12(8-11)10-17-18-15(19)13-6-3-7-14(16)9-13/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyUSZWLWBSAARQRT-YVLHZVERSA-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

3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
3-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 795218
3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 136828048
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (CID 5412010) is 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N\NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is USZWLWBSAARQRT-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-11-4-2-5-12(8-11)10-17-18-15(19)13-6-3-7-14(16)9-13/h2-10H,1H3,(H,18,19)/b17-10-.
What are the key properties of 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
3-fluoro-N-[(Z)-(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 3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5412010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).