2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide

C14H17Cl2NO2 — CID 174882059

IUPAC2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide
SMILESNC(=O)C(Oc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,17,18)
InChIKeyNIFCSFFKOVBBMA-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.81
Rot. Bonds4

About 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide

2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 174882059) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide
PubChem CID174882059
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide
SMILESNC(=O)C(Oc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,17,18)
InChIKeyNIFCSFFKOVBBMA-UHFFFAOYSA-N
XLogP3.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
[(1R,2S)-1-cyclopentyl-1-(2,4-dichlorophenoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121466066
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3717576
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119466707
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide (CID 174882059) is 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide is NC(=O)C(Oc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is NIFCSFFKOVBBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,17,18).
What are the key properties of 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide?
2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 174882059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).