4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide

C12H13F4NO2 — CID 65037242

IUPAC4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO2/c1-7(6-18)5-17-11(19)8-2-3-10(13)9(4-8)12(14,15)16/h2-4,7,18H,5-6H2,1H3,(H,17,19)
InChIKeyACMUJHDLYXOFIY-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.20
Rot. Bonds4

About 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 65037242) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID65037242
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO2/c1-7(6-18)5-17-11(19)8-2-3-10(13)9(4-8)12(14,15)16/h2-4,7,18H,5-6H2,1H3,(H,17,19)
InChIKeyACMUJHDLYXOFIY-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
4-fluoro-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 95314936
3-[1,1-difluoro-2-[[(2S)-3-hydroxy-2-methylpropyl]amino]-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide
CID 157104403
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 65031376
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 124550256
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
N-[(2S)-2-methylhexyl]-3,4-bis(trifluoromethyl)benzamide
CID 122549176
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide (CID 65037242) is 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide is CC(CO)CNC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ACMUJHDLYXOFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-7(6-18)5-17-11(19)8-2-3-10(13)9(4-8)12(14,15)16/h2-4,7,18H,5-6H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 279.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 65037242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).