3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C13H16ClNO3 — CID 113339750

IUPAC3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-10-6-8(4-5-12(10)17)13(18)15-11-3-1-2-9(11)7-16/h4-6,9,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyRKINWYWWMITLTM-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.94
Rot. Bonds3

About 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide

3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 113339750) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID113339750
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-10-6-8(4-5-12(10)17)13(18)15-11-3-1-2-9(11)7-16/h4-6,9,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyRKINWYWWMITLTM-UHFFFAOYSA-N
XLogP1.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 113339750) is 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1CCCC1CO)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is RKINWYWWMITLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-6-8(4-5-12(10)17)13(18)15-11-3-1-2-9(11)7-16/h4-6,9,11,16-17H,1-3,7H2,(H,15,18).
What are the key properties of 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 113339750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).