N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide

C17H16F3NO — CID 8912081

IUPACN-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-12(13-6-3-2-4-7-13)11-21-16(22)14-8-5-9-15(10-14)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeySPMCMAYOPXBDJK-LBPRGKRZSA-N
MW307.32 g/mol
LogP4.24
Rot. Bonds4

About N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide

N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide (PubChem CID 8912081) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
PubChem CID8912081
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-12(13-6-3-2-4-7-13)11-21-16(22)14-8-5-9-15(10-14)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeySPMCMAYOPXBDJK-LBPRGKRZSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297065
N-[(2R)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297064
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 76953051
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-bromo-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide (CID 8912081) is N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide is C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SPMCMAYOPXBDJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12(13-6-3-2-4-7-13)11-21-16(22)14-8-5-9-15(10-14)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide has a molecular weight of 307.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 8912081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).