5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide

C12H14FNO3 — CID 115883957

IUPAC5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO3/c13-8-2-3-10(16)9(6-8)11(17)14-12(7-15)4-1-5-12/h2-3,6,15-16H,1,4-5,7H2,(H,14,17)
InChIKeyZNPGYSQEQMHNFI-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.18
Rot. Bonds3

About 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide

5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide (PubChem CID 115883957) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
PubChem CID115883957
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO3/c13-8-2-3-10(16)9(6-8)11(17)14-12(7-15)4-1-5-12/h2-3,6,15-16H,1,4-5,7H2,(H,14,17)
InChIKeyZNPGYSQEQMHNFI-UHFFFAOYSA-N
XLogP1.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
N-[4-(bromomethyl)oxan-4-yl]-5-fluoro-2-hydroxybenzamide
CID 114170584
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 104630770
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
3-amino-2,5-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 107120995
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
CID 103790762
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide (CID 115883957) is 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide is O=C(NC1(CO)CCC1)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The InChIKey is ZNPGYSQEQMHNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-8-2-3-10(16)9(6-8)11(17)14-12(7-15)4-1-5-12/h2-3,6,15-16H,1,4-5,7H2,(H,14,17).
What are the key properties of 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide is sourced from PubChem (CID 115883957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).