N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide

C16H21Cl2NO3 — CID 100716096

IUPACN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(O)(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H21Cl2NO3/c1-10-5-7-16(22,8-6-10)15(21)19-9-13(20)14-11(17)3-2-4-12(14)18/h2-4,10,13,20,22H,5-9H2,1H3,(H,19,21)/t10?,13-,16?/m1/s1
InChIKeyUNHJYCMSXFXCAN-XNVJVGRKSA-N
MW346.25 g/mol
LogP3.08
Rot. Bonds4

About N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide

N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide (PubChem CID 100716096) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide
PubChem CID100716096
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(O)(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H21Cl2NO3/c1-10-5-7-16(22,8-6-10)15(21)19-9-13(20)14-11(17)3-2-4-12(14)18/h2-4,10,13,20,22H,5-9H2,1H3,(H,19,21)/t10?,13-,16?/m1/s1
InChIKeyUNHJYCMSXFXCAN-XNVJVGRKSA-N
XLogP3.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750736
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432804
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65120546
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
3-amino-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119800687
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
CID 75381312

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide (CID 100716096) is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide is CC1CCC(O)(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is UNHJYCMSXFXCAN-XNVJVGRKSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-10-5-7-16(22,8-6-10)15(21)19-9-13(20)14-11(17)3-2-4-12(14)18/h2-4,10,13,20,22H,5-9H2,1H3,(H,19,21)/t10?,13-,16?/m1/s1.
What are the key properties of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide?
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 346.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-hydroxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100716096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).