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

C15H20ClNO2 — CID 2632990

IUPAC2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11-5-2-3-8-14(11)17-15(18)10-19-13-7-4-6-12(16)9-13/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyLWXNZQFILNEAFE-BXUZGUMPSA-N
MW281.78 g/mol
LogP3.41
Rot. Bonds4

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

2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 2632990) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID2632990
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11-5-2-3-8-14(11)17-15(18)10-19-13-7-4-6-12(16)9-13/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyLWXNZQFILNEAFE-BXUZGUMPSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 2503845
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11945960
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-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 2632990) is 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is LWXNZQFILNEAFE-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-5-2-3-8-14(11)17-15(18)10-19-13-7-4-6-12(16)9-13/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,18)/t11-,14-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 281.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 2632990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).