4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide

C18H24ClNO2 — CID 29347

IUPAC4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
SMILESCC1C2CCC(C2)C1CN(CCO)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20(8-9-21)18(22)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3
InChIKeyLKJLMYKYKMDEBY-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.46
Rot. Bonds5

About 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide

4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide (PubChem CID 29347) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
PubChem CID29347
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
SMILESCC1C2CCC(C2)C1CN(CCO)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20(8-9-21)18(22)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3
InChIKeyLKJLMYKYKMDEBY-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide (CID 29347) is 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide is CC1C2CCC(C2)C1CN(CCO)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
The InChIKey is LKJLMYKYKMDEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20(8-9-21)18(22)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3.
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide has a molecular weight of 321.85 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide is sourced from PubChem (CID 29347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).