N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C19H20F3NO2 — CID 23650191

IUPACN-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-14(7-8-15-5-3-2-4-6-15)23-18(24)13-16-9-11-17(12-10-16)25-19(20,21)22/h2-6,9-12,14H,7-8,13H2,1H3,(H,23,24)
InChIKeyPMUOTTWWRSLJHQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.27
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 23650191) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID23650191
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-14(7-8-15-5-3-2-4-6-15)23-18(24)13-16-9-11-17(12-10-16)25-19(20,21)22/h2-6,9-12,14H,7-8,13H2,1H3,(H,23,24)
InChIKeyPMUOTTWWRSLJHQ-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
N-(4-methoxybenzyl)oleamide
CID 11502240
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304
2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide
CID 9841851
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 23650191) is N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(CCc1ccccc1)NC(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PMUOTTWWRSLJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-14(7-8-15-5-3-2-4-6-15)23-18(24)13-16-9-11-17(12-10-16)25-19(20,21)22/h2-6,9-12,14H,7-8,13H2,1H3,(H,23,24).
What are the key properties of N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 23650191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).