3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide

C15H12BrFN2O — CID 922091

IUPAC3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H12BrFN2O/c1-10-2-5-12(8-14(10)16)15(20)19-18-9-11-3-6-13(17)7-4-11/h2-9H,1H3,(H,19,20)
InChIKeyBOPAUJNMOKCHAZ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.66
Rot. Bonds3

About 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide

3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 922091) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
PubChem CID922091
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H12BrFN2O/c1-10-2-5-12(8-14(10)16)15(20)19-18-9-11-3-6-13(17)7-4-11/h2-9H,1H3,(H,19,20)
InChIKeyBOPAUJNMOKCHAZ-UHFFFAOYSA-N
XLogP3.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.66
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
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667
3-bromo-4-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5196695
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
methyl 4-[[(3-bromo-4-hydroxybenzoyl)hydrazinylidene]methyl]benzoate
CID 4207457
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide (CID 922091) is 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is BOPAUJNMOKCHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-10-2-5-12(8-14(10)16)15(20)19-18-9-11-3-6-13(17)7-4-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide?
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 335.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 922091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).