N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide

C18H18F3NO — CID 2521792

IUPACN-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO/c1-13(10-11-14-6-3-2-4-7-14)22-17(23)15-8-5-9-16(12-15)18(19,20)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyBPPKVHUDDDOLIQ-ZDUSSCGKSA-N
MW321.34 g/mol
LogP4.46
Rot. Bonds5

About N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide

N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 2521792) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID2521792
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO/c1-13(10-11-14-6-3-2-4-7-14)22-17(23)15-8-5-9-16(12-15)18(19,20)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyBPPKVHUDDDOLIQ-ZDUSSCGKSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
N-[(2S)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 70987921
N-[(2S)-4-phenylbutan-2-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92772919
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide (CID 2521792) is N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BPPKVHUDDDOLIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-13(10-11-14-6-3-2-4-7-14)22-17(23)15-8-5-9-16(12-15)18(19,20)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide?
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2521792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).