2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide

C15H18FNO3 — CID 99786398

IUPAC2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1c(O)cccc1F
InChIInChI=1S/C15H18FNO3/c16-11-2-1-3-12(19)13(11)15(20)17-14-9-5-4-8(6-9)10(14)7-18/h1-3,8-10,14,18-19H,4-7H2,(H,17,20)/t8-,9-,10-,14-/m0/s1
InChIKeyJFWFRDXQHCVFGT-QSDJMHMYSA-N
MW279.31 g/mol
LogP1.67
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide

2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 99786398) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID99786398
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1c(O)cccc1F
InChIInChI=1S/C15H18FNO3/c16-11-2-1-3-12(19)13(11)15(20)17-14-9-5-4-8(6-9)10(14)7-18/h1-3,8-10,14,18-19H,4-7H2,(H,17,20)/t8-,9-,10-,14-/m0/s1
InChIKeyJFWFRDXQHCVFGT-QSDJMHMYSA-N
XLogP1.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide with MolForge

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Related Compounds

methyl (1S,2R,3R,4S)-3-[(2,6-difluorobenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129426383
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 99786398) is 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide is O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is JFWFRDXQHCVFGT-QSDJMHMYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-11-2-1-3-12(19)13(11)15(20)17-14-9-5-4-8(6-9)10(14)7-18/h1-3,8-10,14,18-19H,4-7H2,(H,17,20)/t8-,9-,10-,14-/m0/s1.
What are the key properties of 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide?
2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 279.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 99786398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).