(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide

C17H16F3NO2 — CID 7957205

IUPAC(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c1-2-15(12-6-4-3-5-7-12)16(22)21-13-8-10-14(11-9-13)23-17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyXZHRDWCCQGFVRA-OAHLLOKOSA-N
MW323.31 g/mol
LogP4.72
Rot. Bonds5

About (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide

(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 7957205) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID7957205
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c1-2-15(12-6-4-3-5-7-12)16(22)21-13-8-10-14(11-9-13)23-17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyXZHRDWCCQGFVRA-OAHLLOKOSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 4845915
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 7957205) is (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide is CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is XZHRDWCCQGFVRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-2-15(12-6-4-3-5-7-12)16(22)21-13-8-10-14(11-9-13)23-17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 323.31 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 7957205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).