4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C15H20FNO3 — CID 103830141

IUPAC4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C15H20FNO3/c16-11-4-5-12(13(19)8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyVSVBHKGSGHWZOX-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.20
Rot. Bonds4

About 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 103830141) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID103830141
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C15H20FNO3/c16-11-4-5-12(13(19)8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyVSVBHKGSGHWZOX-UHFFFAOYSA-N
XLogP2.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313360
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 103830141) is 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CO)CCCCC1)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is VSVBHKGSGHWZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-11-4-5-12(13(19)8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20).
What are the key properties of 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 281.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 103830141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).