3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide

C14H18ClNO2 — CID 79840670

IUPAC3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-14(2)7-3-4-12(14)16-13(18)9-5-6-11(17)10(15)8-9/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyNDJGQNUSGIJUON-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.35
Rot. Bonds2

About 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide

3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide (PubChem CID 79840670) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
PubChem CID79840670
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-14(2)7-3-4-12(14)16-13(18)9-5-6-11(17)10(15)8-9/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyNDJGQNUSGIJUON-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
3-chloro-N-(2,2-dimethylcyclohexyl)-4-nitrobenzamide
CID 82778025
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
3-chloro-4-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872961
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767220
3-[4-[(2,2-dimethylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 79870096
2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
CID 79872955
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide (CID 79840670) is 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide is CC1(C)CCCC1NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide?
The InChIKey is NDJGQNUSGIJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)7-3-4-12(14)16-13(18)9-5-6-11(17)10(15)8-9/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide?
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide has a molecular weight of 267.76 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide is sourced from PubChem (CID 79840670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).