3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

C15H16ClNO2 — CID 103767220

IUPAC3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-10-6-9(3-4-11(10)18)15(19)17-14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14,18H,1-2,5H2,(H,17,19)
InChIKeyXTLHTYNZZSFOLD-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.82
Rot. Bonds2

About 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (PubChem CID 103767220) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
PubChem CID103767220
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-10-6-9(3-4-11(10)18)15(19)17-14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14,18H,1-2,5H2,(H,17,19)
InChIKeyXTLHTYNZZSFOLD-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
CID 66195347
4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103855353
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
3-bromo-5-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 114096125
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
3-chloro-4-hydroxybenzohydrazide
CID 10954268
2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
CID 105058307
3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767084
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (CID 103767220) is 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is O=C(NC1C2C3CCC(C3)C12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The InChIKey is XTLHTYNZZSFOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-10-6-9(3-4-11(10)18)15(19)17-14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14,18H,1-2,5H2,(H,17,19).
What are the key properties of 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide has a molecular weight of 277.75 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is sourced from PubChem (CID 103767220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).