2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide

C16H21Cl2NO2 — CID 11915896

IUPAC2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C16H21Cl2NO2/c1-10-5-3-7-13(11(10)2)19-15(20)9-21-14-8-4-6-12(17)16(14)18/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,19,20)/t10-,11+,13+/m0/s1
InChIKeyKDGTWCDIALIWMC-DMDPSCGWSA-N
MW330.26 g/mol
LogP4.31
Rot. Bonds4

About 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide

2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11915896) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11915896
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.26 g/mol
Exact Mass329.09
IUPAC Name2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C16H21Cl2NO2/c1-10-5-3-7-13(11(10)2)19-15(20)9-21-14-8-4-6-12(17)16(14)18/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,19,20)/t10-,11+,13+/m0/s1
InChIKeyKDGTWCDIALIWMC-DMDPSCGWSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2434553
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
1-[[2-(2-chlorophenoxy)acetyl]amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946461
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 11915073
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624406
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11907226
2-(4-chloro-2-nitrophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11920384

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide (CID 11915896) is 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is KDGTWCDIALIWMC-DMDPSCGWSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-10-5-3-7-13(11(10)2)19-15(20)9-21-14-8-4-6-12(17)16(14)18/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,19,20)/t10-,11+,13+/m0/s1.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 330.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11915896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).