N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide

C17H16F3NO — CID 135022919

IUPACN-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO/c1-12(22)21-16(14-10-6-3-7-11-14)15(17(18,19)20)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyKXJNQERSEAAJGV-HOTGVXAUSA-N
MW307.32 g/mol
LogP4.21
Rot. Bonds4

About N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide

N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide (PubChem CID 135022919) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide
PubChem CID135022919
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO/c1-12(22)21-16(14-10-6-3-7-11-14)15(17(18,19)20)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyKXJNQERSEAAJGV-HOTGVXAUSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
SA-58035
CID 122215
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide?
The IUPAC name of N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide (CID 135022919) is N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide?
The canonical SMILES for N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide is CC(=O)N[C@@H](c1ccccc1)[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide?
The InChIKey is KXJNQERSEAAJGV-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12(22)21-16(14-10-6-3-7-11-14)15(17(18,19)20)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide?
N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide has a molecular weight of 307.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-3,3,3-trifluoro-1,2-diphenylpropyl]acetamide is sourced from PubChem (CID 135022919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).