3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide

C14H16F3NO3 — CID 125420338

IUPAC3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1CCCOC1)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-4-10(5-12(19)6-11)13(20)18-7-9-2-1-3-21-8-9/h4-6,9,19H,1-3,7-8H2,(H,18,20)/t9-/m0/s1
InChIKeyCCUWJNPZDTZTOS-VIFPVBQESA-N
MW303.28 g/mol
LogP2.57
Rot. Bonds3

About 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide

3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 125420338) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID125420338
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1CCCOC1)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-4-10(5-12(19)6-11)13(20)18-7-9-2-1-3-21-8-9/h4-6,9,19H,1-3,7-8H2,(H,18,20)/t9-/m0/s1
InChIKeyCCUWJNPZDTZTOS-VIFPVBQESA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
4-(3,4-difluoro-5-hydroxyphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126429664
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547872
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide (CID 125420338) is 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide is O=C(NC[C@@H]1CCCOC1)c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is CCUWJNPZDTZTOS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)11-4-10(5-12(19)6-11)13(20)18-7-9-2-1-3-21-8-9/h4-6,9,19H,1-3,7-8H2,(H,18,20)/t9-/m0/s1.
What are the key properties of 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 125420338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).