4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide

C20H26F3NO3 — CID 102554068

IUPAC4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide
SMILESO=C(NC1CCCCCC1c1ccccc1C(F)(F)F)C1(O)CCOCC1
InChIInChI=1S/C20H26F3NO3/c21-20(22,23)16-8-5-4-6-14(16)15-7-2-1-3-9-17(15)24-18(25)19(26)10-12-27-13-11-19/h4-6,8,15,17,26H,1-3,7,9-13H2,(H,24,25)
InChIKeyVISLRNMGMLZZSU-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.78
Rot. Bonds3

About 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide

4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide (PubChem CID 102554068) has the molecular formula C20H26F3NO3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide
PubChem CID102554068
Molecular FormulaC20H26F3NO3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide
SMILESO=C(NC1CCCCCC1c1ccccc1C(F)(F)F)C1(O)CCOCC1
InChIInChI=1S/C20H26F3NO3/c21-20(22,23)16-8-5-4-6-14(16)15-7-2-1-3-9-17(15)24-18(25)19(26)10-12-27-13-11-19/h4-6,8,15,17,26H,1-3,7,9-13H2,(H,24,25)
InChIKeyVISLRNMGMLZZSU-UHFFFAOYSA-N
XLogP3.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 97256128
N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 75399293
4-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]oxane-4-carboxamide
CID 120930074
5-[(2R)-oxolan-2-yl]-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]-1,3-oxazole-4-carboxamide
CID 98856027
2-(methylamino)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide;hydrochloride
CID 120705635
4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
CID 141014652
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074
2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 152994869
2-(triazol-1-yl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 75397270
2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 97157859
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide (CID 102554068) is 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide is O=C(NC1CCCCCC1c1ccccc1C(F)(F)F)C1(O)CCOCC1.
What is the InChIKey of 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide?
The InChIKey is VISLRNMGMLZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO3/c21-20(22,23)16-8-5-4-6-14(16)15-7-2-1-3-9-17(15)24-18(25)19(26)10-12-27-13-11-19/h4-6,8,15,17,26H,1-3,7,9-13H2,(H,24,25).
What are the key properties of 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide?
4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide is sourced from PubChem (CID 102554068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).