2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide

C13H16ClNO3 — CID 110125150

IUPAC2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
SMILESCO[C@@H]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H]1O
InChIInChI=1S/C13H16ClNO3/c1-18-11-7-6-10(12(11)16)15-13(17)8-4-2-3-5-9(8)14/h2-5,10-12,16H,6-7H2,1H3,(H,15,17)/t10-,11-,12-/m1/s1
InChIKeyCEJSPWJRVGJNMI-IJLUTSLNSA-N
MW269.73 g/mol
LogP1.61
Rot. Bonds3

About 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide

2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide (PubChem CID 110125150) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
PubChem CID110125150
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
SMILESCO[C@@H]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H]1O
InChIInChI=1S/C13H16ClNO3/c1-18-11-7-6-10(12(11)16)15-13(17)8-4-2-3-5-9(8)14/h2-5,10-12,16H,6-7H2,1H3,(H,15,17)/t10-,11-,12-/m1/s1
InChIKeyCEJSPWJRVGJNMI-IJLUTSLNSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide (CID 110125150) is 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide is CO[C@@H]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H]1O.
What is the InChIKey of 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
The InChIKey is CEJSPWJRVGJNMI-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-11-7-6-10(12(11)16)15-13(17)8-4-2-3-5-9(8)14/h2-5,10-12,16H,6-7H2,1H3,(H,15,17)/t10-,11-,12-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide is sourced from PubChem (CID 110125150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).