5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide

C17H21ClN2O2 — CID 5276301

IUPAC5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
SMILESCN1C2CCC23CC[C@H](NC(=O)c2cc(Cl)ccc2O)CC13
InChIInChI=1S/C17H21ClN2O2/c1-20-14-5-7-17(14)6-4-11(9-15(17)20)19-16(22)12-8-10(18)2-3-13(12)21/h2-3,8,11,14-15,21H,4-7,9H2,1H3,(H,19,22)/t11-,14?,15?,17?/m0/s1
InChIKeyRFEJTIQIAJJYDI-WFVCENDPSA-N
MW320.82 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide

5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide (PubChem CID 5276301) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
PubChem CID5276301
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
SMILESCN1C2CCC23CC[C@H](NC(=O)c2cc(Cl)ccc2O)CC13
InChIInChI=1S/C17H21ClN2O2/c1-20-14-5-7-17(14)6-4-11(9-15(17)20)19-16(22)12-8-10(18)2-3-13(12)21/h2-3,8,11,14-15,21H,4-7,9H2,1H3,(H,19,22)/t11-,14?,15?,17?/m0/s1
InChIKeyRFEJTIQIAJJYDI-WFVCENDPSA-N
XLogP2.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide (CID 5276301) is 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide is CN1C2CCC23CC[C@H](NC(=O)c2cc(Cl)ccc2O)CC13.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
The InChIKey is RFEJTIQIAJJYDI-WFVCENDPSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-20-14-5-7-17(14)6-4-11(9-15(17)20)19-16(22)12-8-10(18)2-3-13(12)21/h2-3,8,11,14-15,21H,4-7,9H2,1H3,(H,19,22)/t11-,14?,15?,17?/m0/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide has a molecular weight of 320.82 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide is sourced from PubChem (CID 5276301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).