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

C17H16F3NO — CID 141132168

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-12-5-2-3-8-15(12)16(22)21-10-9-13-6-4-7-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyALVBADRONIUFKV-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.99
Rot. Bonds4

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

2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 141132168) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID141132168
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-12-5-2-3-8-15(12)16(22)21-10-9-13-6-4-7-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyALVBADRONIUFKV-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 2-methylbenzoate
CID 46860424
2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 95714521
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 141132168) is 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is Cc1ccccc1C(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is ALVBADRONIUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12-5-2-3-8-15(12)16(22)21-10-9-13-6-4-7-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 307.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 141132168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).