3-hydroxy-N-(2-hydroxycycloheptyl)benzamide

C14H19NO3 — CID 113394806

IUPAC3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1O)c1cccc(O)c1
InChIInChI=1S/C14H19NO3/c16-11-6-4-5-10(9-11)14(18)15-12-7-2-1-3-8-13(12)17/h4-6,9,12-13,16-17H,1-3,7-8H2,(H,15,18)
InChIKeyVVRHOGLWHRXKEB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.82
Rot. Bonds2

About 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide

3-hydroxy-N-(2-hydroxycycloheptyl)benzamide (PubChem CID 113394806) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
PubChem CID113394806
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1O)c1cccc(O)c1
InChIInChI=1S/C14H19NO3/c16-11-6-4-5-10(9-11)14(18)15-12-7-2-1-3-8-13(12)17/h4-6,9,12-13,16-17H,1-3,7-8H2,(H,15,18)
InChIKeyVVRHOGLWHRXKEB-UHFFFAOYSA-N
XLogP1.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107211868
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide (CID 113394806) is 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide is O=C(NC1CCCCCC1O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
The InChIKey is VVRHOGLWHRXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-6-4-5-10(9-11)14(18)15-12-7-2-1-3-8-13(12)17/h4-6,9,12-13,16-17H,1-3,7-8H2,(H,15,18).
What are the key properties of 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxycycloheptyl)benzamide is sourced from PubChem (CID 113394806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).