2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C17H21Cl2NO3 — CID 7917107

IUPAC2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H21Cl2NO3/c1-10-5-3-4-6-15(10)20-16(22)9-23-17-13(11(2)21)7-12(18)8-14(17)19/h7-8,10,15H,3-6,9H2,1-2H3,(H,20,22)/t10-,15+/m1/s1
InChIKeyORVXOGBFNMGFET-BMIGLBTASA-N
MW358.27 g/mol
LogP4.27
Rot. Bonds5

About 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 7917107) has the molecular formula C17H21Cl2NO3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID7917107
Molecular FormulaC17H21Cl2NO3
Molecular Weight358.27 g/mol
Exact Mass357.09
IUPAC Name2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H21Cl2NO3/c1-10-5-3-4-6-15(10)20-16(22)9-23-17-13(11(2)21)7-12(18)8-14(17)19/h7-8,10,15H,3-6,9H2,1-2H3,(H,20,22)/t10-,15+/m1/s1
InChIKeyORVXOGBFNMGFET-BMIGLBTASA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7917105
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620409
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7508265
2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 25436323
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2602823
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790
2-(3,5-dimethylphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2712787
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 7917107) is 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is ORVXOGBFNMGFET-BMIGLBTASA-N. The full InChI is InChI=1S/C17H21Cl2NO3/c1-10-5-3-4-6-15(10)20-16(22)9-23-17-13(11(2)21)7-12(18)8-14(17)19/h7-8,10,15H,3-6,9H2,1-2H3,(H,20,22)/t10-,15+/m1/s1.
What are the key properties of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 358.27 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7917107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).