3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide

C16H20F3NO2 — CID 31061764

IUPAC3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccccc1O)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)12-5-3-6-13(10-12)20-15(22)9-8-11-4-1-2-7-14(11)21/h1-2,4,7,12-13,21H,3,5-6,8-10H2,(H,20,22)/t12-,13-/m0/s1
InChIKeyPGSKNOHOLBQFGT-STQMWFEESA-N
MW315.33 g/mol
LogP3.56
Rot. Bonds4

About 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide

3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 31061764) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID31061764
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccccc1O)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)12-5-3-6-13(10-12)20-15(22)9-8-11-4-1-2-7-14(11)21/h1-2,4,7,12-13,21H,3,5-6,8-10H2,(H,20,22)/t12-,13-/m0/s1
InChIKeyPGSKNOHOLBQFGT-STQMWFEESA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
3-(2-hydroxyphenyl)-N-(3-methylcyclohexyl)propanamide
CID 47161541
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
3-(1,3-benzothiazol-2-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51930213
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 78848521
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 43394595
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51932289

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide (CID 31061764) is 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide is O=C(CCc1ccccc1O)N[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is PGSKNOHOLBQFGT-STQMWFEESA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)12-5-3-6-13(10-12)20-15(22)9-8-11-4-1-2-7-14(11)21/h1-2,4,7,12-13,21H,3,5-6,8-10H2,(H,20,22)/t12-,13-/m0/s1.
What are the key properties of 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 315.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 31061764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).