(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide

C16H20ClNO3 — CID 100905056

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H20ClNO3/c17-13-4-2-1-3-11(13)15(20)16(21)18-14-10-6-5-9(7-10)12(14)8-19/h1-4,9-10,12,14-15,19-20H,5-8H2,(H,18,21)/t9-,10-,12+,14-,15+/m0/s1
InChIKeyQDOGRLUCSBZWLT-ZCNHVBTFSA-N
MW309.79 g/mol
LogP1.90
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide

(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 100905056) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID100905056
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H20ClNO3/c17-13-4-2-1-3-11(13)15(20)16(21)18-14-10-6-5-9(7-10)12(14)8-19/h1-4,9-10,12,14-15,19-20H,5-8H2,(H,18,21)/t9-,10-,12+,14-,15+/m0/s1
InChIKeyQDOGRLUCSBZWLT-ZCNHVBTFSA-N
XLogP1.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide 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 (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 100905056) is (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide is O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)[C@H](O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is QDOGRLUCSBZWLT-ZCNHVBTFSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-4-2-1-3-11(13)15(20)16(21)18-14-10-6-5-9(7-10)12(14)8-19/h1-4,9-10,12,14-15,19-20H,5-8H2,(H,18,21)/t9-,10-,12+,14-,15+/m0/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide?
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 309.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 100905056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).