2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide

C21H28Cl2N2O4 — CID 67487226

IUPAC2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCC1OC1CCCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H28Cl2N2O4/c1-24-21(27)25-20(26)15(14-7-5-8-16(22)19(14)23)12-13-6-4-9-17(13)29-18-10-2-3-11-28-18/h5,7-8,13,15,17-18H,2-4,6,9-12H2,1H3,(H2,24,25,26,27)
InChIKeyHNYOASMYZAOHAA-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.63
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide

2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide (PubChem CID 67487226) has the molecular formula C21H28Cl2N2O4 and a molecular weight of 443.37 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide
PubChem CID67487226
Molecular FormulaC21H28Cl2N2O4
Molecular Weight443.37 g/mol
Exact Mass442.14
IUPAC Name2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCC1OC1CCCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H28Cl2N2O4/c1-24-21(27)25-20(26)15(14-7-5-8-16(22)19(14)23)12-13-6-4-9-17(13)29-18-10-2-3-11-28-18/h5,7-8,13,15,17-18H,2-4,6,9-12H2,1H3,(H2,24,25,26,27)
InChIKeyHNYOASMYZAOHAA-UHFFFAOYSA-N
XLogP4.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
2-methyl-2-(4-methylsulfonylphenyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanoic acid
CID 150396843
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
4-(2-chlorophenyl)-2,2-dimethyl-N-(oxan-2-yloxy)butanamide
CID 150816823
[1-(oxan-2-yloxy)-3-phenylsulfanylpropan-2-yl] 2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate
CID 70910070
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722733
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone
CID 151712508

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide (CID 67487226) is 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide is CNC(=O)NC(=O)C(CC1CCCC1OC1CCCCO1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide?
The InChIKey is HNYOASMYZAOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2N2O4/c1-24-21(27)25-20(26)15(14-7-5-8-16(22)19(14)23)12-13-6-4-9-17(13)29-18-10-2-3-11-28-18/h5,7-8,13,15,17-18H,2-4,6,9-12H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide?
2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide has a molecular weight of 443.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-(methylcarbamoyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanamide is sourced from PubChem (CID 67487226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).