N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide

C15H13FN2O — CID 5405739

IUPACN-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyWPGCBFWORYGIHN-YVLHZVERSA-N
MW256.28 g/mol
LogP2.90
Rot. Bonds3

About N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide

N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 5405739) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
PubChem CID5405739
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyWPGCBFWORYGIHN-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

4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 6030530
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide (CID 5405739) is N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is WPGCBFWORYGIHN-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide 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 N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 5405739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).