(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide

C16H18F3NO — CID 97081865

IUPAC(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(F)(F)F)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C16H18F3NO/c17-16(18,19)13(9-10-5-2-1-3-6-10)20-15(21)14-11-7-4-8-12(11)14/h1-3,5-6,11-14H,4,7-9H2,(H,20,21)/t11-,12+,13-,14?/m0/s1
InChIKeyXTZGKHXKULKLDI-WJLOJVBCSA-N
MW297.32 g/mol
LogP3.32
Rot. Bonds4

About (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 97081865) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID97081865
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(F)(F)F)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C16H18F3NO/c17-16(18,19)13(9-10-5-2-1-3-6-10)20-15(21)14-11-7-4-8-12(11)14/h1-3,5-6,11-14H,4,7-9H2,(H,20,21)/t11-,12+,13-,14?/m0/s1
InChIKeyXTZGKHXKULKLDI-WJLOJVBCSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 119801822
1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
CID 97061185
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
CID 97306483
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 70114999
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
CID 97231599
1-(1,1-dioxothiolan-3-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
CID 75427492
1-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 166300771
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841
3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
CID 119801858
(3S)-3-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 98271190
1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 75448366
trans-(1R,4R)-2-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-3-oxo-4-(2-phenylethyl)cyclobutane-1-carboxylic acid
CID 138546254

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide (CID 97081865) is (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)C1[C@H]2CCC[C@@H]12.
What is the InChIKey of (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XTZGKHXKULKLDI-WJLOJVBCSA-N. The full InChI is InChI=1S/C16H18F3NO/c17-16(18,19)13(9-10-5-2-1-3-6-10)20-15(21)14-11-7-4-8-12(11)14/h1-3,5-6,11-14H,4,7-9H2,(H,20,21)/t11-,12+,13-,14?/m0/s1.
What are the key properties of (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 97081865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).