2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide

C22H27ClN2O2 — CID 45267968

IUPAC2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCC(C)(C)C3)c2)nc1
InChIInChI=1S/C22H27ClN2O2/c1-15-5-8-19(24-12-15)16-6-7-18(23)17(11-16)20(26)25-14-22(27)10-4-9-21(2,3)13-22/h5-8,11-12,27H,4,9-10,13-14H2,1-3H3,(H,25,26)
InChIKeyAADISMNEXUCPMN-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.77
Rot. Bonds4

About 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide

2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 45267968) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID45267968
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCC(C)(C)C3)c2)nc1
InChIInChI=1S/C22H27ClN2O2/c1-15-5-8-19(24-12-15)16-6-7-18(23)17(11-16)20(26)25-14-22(27)10-4-9-21(2,3)13-22/h5-8,11-12,27H,4,9-10,13-14H2,1-3H3,(H,25,26)
InChIKeyAADISMNEXUCPMN-UHFFFAOYSA-N
XLogP4.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (CID 45267968) is 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCC(C)(C)C3)c2)nc1.
What is the InChIKey of 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is AADISMNEXUCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-15-5-8-19(24-12-15)16-6-7-18(23)17(11-16)20(26)25-14-22(27)10-4-9-21(2,3)13-22/h5-8,11-12,27H,4,9-10,13-14H2,1-3H3,(H,25,26).
What are the key properties of 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 386.92 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 45267968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).