2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide

C17H24ClNO2 — CID 11594741

IUPAC2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-17(2,13-7-9-14(18)10-8-13)16(21)19-11-12-5-3-4-6-15(12)20/h7-10,12,15,20H,3-6,11H2,1-2H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyYGHOZONJDUKKIT-SWLSCSKDSA-N
MW309.84 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide

2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide (PubChem CID 11594741) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
PubChem CID11594741
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-17(2,13-7-9-14(18)10-8-13)16(21)19-11-12-5-3-4-6-15(12)20/h7-10,12,15,20H,3-6,11H2,1-2H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyYGHOZONJDUKKIT-SWLSCSKDSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide (CID 11594741) is 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide is CC(C)(C(=O)NC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
The InChIKey is YGHOZONJDUKKIT-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-17(2,13-7-9-14(18)10-8-13)16(21)19-11-12-5-3-4-6-15(12)20/h7-10,12,15,20H,3-6,11H2,1-2H3,(H,19,21)/t12-,15+/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 11594741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).