2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide

C13H13F4NO2 — CID 111859437

IUPAC2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H13F4NO2/c14-10-8(3-1-4-9(10)13(15,16)17)11(19)18-7-12(20)5-2-6-12/h1,3-4,20H,2,5-7H2,(H,18,19)
InChIKeyUTUFINFEUNWVFG-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.49
Rot. Bonds3

About 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 111859437) has the molecular formula C13H13F4NO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID111859437
Molecular FormulaC13H13F4NO2
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Name2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H13F4NO2/c14-10-8(3-1-4-9(10)13(15,16)17)11(19)18-7-12(20)5-2-6-12/h1,3-4,20H,2,5-7H2,(H,18,19)
InChIKeyUTUFINFEUNWVFG-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-(trifluoromethyl)benzamide
CID 146080090

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide (CID 111859437) is 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCC1(O)CCC1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UTUFINFEUNWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO2/c14-10-8(3-1-4-9(10)13(15,16)17)11(19)18-7-12(20)5-2-6-12/h1,3-4,20H,2,5-7H2,(H,18,19).
What are the key properties of 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 291.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 111859437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).