2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide

C14H18FNO3 — CID 110125479

IUPAC2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1O
InChIInChI=1S/C14H18FNO3/c1-19-12-8-4-7-11(13(12)17)16-14(18)9-5-2-3-6-10(9)15/h2-3,5-6,11-13,17H,4,7-8H2,1H3,(H,16,18)/t11-,12-,13-/m1/s1
InChIKeySWDHEIHPYANIMC-JHJVBQTASA-N
MW267.30 g/mol
LogP1.48
Rot. Bonds3

About 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide

2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide (PubChem CID 110125479) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
PubChem CID110125479
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1O
InChIInChI=1S/C14H18FNO3/c1-19-12-8-4-7-11(13(12)17)16-14(18)9-5-2-3-6-10(9)15/h2-3,5-6,11-13,17H,4,7-8H2,1H3,(H,16,18)/t11-,12-,13-/m1/s1
InChIKeySWDHEIHPYANIMC-JHJVBQTASA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110125150
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
CID 110166110
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
CID 62088634
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide (CID 110125479) is 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide is CO[C@@H]1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1O.
What is the InChIKey of 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
The InChIKey is SWDHEIHPYANIMC-JHJVBQTASA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-12-8-4-7-11(13(12)17)16-14(18)9-5-2-3-6-10(9)15/h2-3,5-6,11-13,17H,4,7-8H2,1H3,(H,16,18)/t11-,12-,13-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide?
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide has a molecular weight of 267.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide is sourced from PubChem (CID 110125479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).