2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide

C16H13F3N2O — CID 4924395

IUPAC2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESCc1ccccc1C(=O)NN=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O/c1-11-5-2-3-8-14(11)15(22)21-20-10-12-6-4-7-13(9-12)16(17,18)19/h2-10H,1H3,(H,21,22)
InChIKeyKWLAADGSGIOQJX-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.78
Rot. Bonds3

About 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide

2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 4924395) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID4924395
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESCc1ccccc1C(=O)NN=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O/c1-11-5-2-3-8-14(11)15(22)21-20-10-12-6-4-7-13(9-12)16(17,18)19/h2-10H,1H3,(H,21,22)
InChIKeyKWLAADGSGIOQJX-UHFFFAOYSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.78
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-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5341237
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
2-(2,6-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924390
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
1-[(Z)-[3-[fluoro(diiodo)methyl]phenyl]methylideneamino]-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 148980870
1-(2,3-dimethylphenyl)-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 6905753
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110524357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 4924395) is 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide is Cc1ccccc1C(=O)NN=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is KWLAADGSGIOQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-11-5-2-3-8-14(11)15(22)21-20-10-12-6-4-7-13(9-12)16(17,18)19/h2-10H,1H3,(H,21,22).
What are the key properties of 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 306.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4924395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).