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

C17H15F3N2O2 — CID 108934154

IUPAC3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccccc2NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11-5-4-7-12(9-11)15(23)21-10-13-6-2-3-8-14(13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUCNVXXJUVXXPCU-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.43
Rot. Bonds4

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

3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (PubChem CID 108934154) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
PubChem CID108934154
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccccc2NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11-5-4-7-12(9-11)15(23)21-10-13-6-2-3-8-14(13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUCNVXXJUVXXPCU-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

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Related Compounds

3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
CID 174970141
N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (CID 108934154) is 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is Cc1cccc(C(=O)NCc2ccccc2NC(=O)C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is UCNVXXJUVXXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-5-4-7-12(9-11)15(23)21-10-13-6-2-3-8-14(13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]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-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 108934154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).