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

C15H19Cl2NO2 — CID 7787741

IUPAC2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-10-5-2-3-7-12(10)18-14(19)9-20-13-8-4-6-11(16)15(13)17/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,18,19)/t10-,12+/m0/s1
InChIKeyIPTGHIZUWFRXKS-CMPLNLGQSA-N
MW316.23 g/mol
LogP4.07
Rot. Bonds4

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

2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7787741) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID7787741
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-10-5-2-3-7-12(10)18-14(19)9-20-13-8-4-6-11(16)15(13)17/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,18,19)/t10-,12+/m0/s1
InChIKeyIPTGHIZUWFRXKS-CMPLNLGQSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435735
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435738
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
CID 7478838
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605978
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylcyclohexyl)acetamide
CID 106484685
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2385493
2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 7787741) is 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is IPTGHIZUWFRXKS-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10-5-2-3-7-12(10)18-14(19)9-20-13-8-4-6-11(16)15(13)17/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,18,19)/t10-,12+/m0/s1.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 316.23 g/mol, XLogP of 4.07, 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,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7787741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).