3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide

C17H15F3N2O2 — CID 108934541

IUPAC3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3N2O2/c1-11-4-2-6-13(8-11)15(23)22-14-7-3-5-12(9-14)10-21-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyPPSGVUWIUWJRQE-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.43
Rot. Bonds4

About 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide

3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide (PubChem CID 108934541) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
PubChem CID108934541
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3N2O2/c1-11-4-2-6-13(8-11)15(23)22-14-7-3-5-12(9-14)10-21-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyPPSGVUWIUWJRQE-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

[3-[[3-[[(3-methylbenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929113
ethyl [4-[[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931872
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 46915048
(E)-3,4,4-trimethyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934750

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide (CID 108934541) is 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The InChIKey is PPSGVUWIUWJRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-4-2-6-13(8-11)15(23)22-14-7-3-5-12(9-14)10-21-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 108934541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).