N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide

C15H10F3NO — CID 135079733

IUPACN-[[3-(trifluoromethyl)phenyl]methylidene]benzamide
SMILESO=C(/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)13-8-4-5-11(9-13)10-19-14(20)12-6-2-1-3-7-12/h1-10H/b19-10+
InChIKeyCWKFUORUBINMSD-VXLYETTFSA-N
MW277.25 g/mol
LogP3.96
Rot. Bonds2

About N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide

N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide (PubChem CID 135079733) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methylidene]benzamide
PubChem CID135079733
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methylidene]benzamide
SMILESO=C(/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)13-8-4-5-11(9-13)10-19-14(20)12-6-2-1-3-7-12/h1-10H/b19-10+
InChIKeyCWKFUORUBINMSD-VXLYETTFSA-N
XLogP3.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide (CID 135079733) is N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide is O=C(/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide?
The InChIKey is CWKFUORUBINMSD-VXLYETTFSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)13-8-4-5-11(9-13)10-19-14(20)12-6-2-1-3-7-12/h1-10H/b19-10+.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide?
N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide has a molecular weight of 277.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methylidene]benzamide is sourced from PubChem (CID 135079733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).