4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride

C15H12ClF3N2 — CID 154203611

IUPAC4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
SMILESCc1ccc(C(Cl)=NNc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2/c1-10-7-8-11(9-13(10)15(17,18)19)14(16)21-20-12-5-3-2-4-6-12/h2-9,20H,1H3
InChIKeyXMWBAKXHHZLGCK-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.03
Rot. Bonds3

About 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride

4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride (PubChem CID 154203611) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
PubChem CID154203611
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
SMILESCc1ccc(C(Cl)=NNc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2/c1-10-7-8-11(9-13(10)15(17,18)19)14(16)21-20-12-5-3-2-4-6-12/h2-9,20H,1H3
InChIKeyXMWBAKXHHZLGCK-UHFFFAOYSA-N
XLogP5.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.03
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

N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 86021252
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558
2-chloro-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 133059973
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899
CID 154709621
CID 154709621
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride (CID 154203611) is 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride is Cc1ccc(C(Cl)=NNc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The InChIKey is XMWBAKXHHZLGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c1-10-7-8-11(9-13(10)15(17,18)19)14(16)21-20-12-5-3-2-4-6-12/h2-9,20H,1H3.
What are the key properties of 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride has a molecular weight of 312.72 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 154203611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).