N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide

C17H14F3NO3 — CID 108808081

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO3/c1-24-12-8-6-11(7-9-12)15(22)10-21-16(23)13-4-2-3-5-14(13)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyQPHZFBWBAPZHIS-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 108808081) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
PubChem CID108808081
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO3/c1-24-12-8-6-11(7-9-12)15(22)10-21-16(23)13-4-2-3-5-14(13)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyQPHZFBWBAPZHIS-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 42266376
N-(2-iminopropyl)-2-(trifluoromethyl)benzamide
CID 145390070
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 2160392
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
CID 95368900
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807760

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide (CID 108808081) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide is COc1ccc(C(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is QPHZFBWBAPZHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-24-12-8-6-11(7-9-12)15(22)10-21-16(23)13-4-2-3-5-14(13)17(18,19)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 337.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108808081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).