2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone

C15H20Cl2N2O — CID 109006495

IUPAC2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-2-11-6-3-4-9-19(11)14(20)10-18-13-8-5-7-12(16)15(13)17/h5,7-8,11,18H,2-4,6,9-10H2,1H3
InChIKeyDWNBIQRYAISCOI-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.20
Rot. Bonds4

About 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone

2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 109006495) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID109006495
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-2-11-6-3-4-9-19(11)14(20)10-18-13-8-5-7-12(16)15(13)17/h5,7-8,11,18H,2-4,6,9-10H2,1H3
InChIKeyDWNBIQRYAISCOI-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006497
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467
[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8842566
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304080
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
CID 119466852
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone (CID 109006495) is 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is DWNBIQRYAISCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-11-6-3-4-9-19(11)14(20)10-18-13-8-5-7-12(16)15(13)17/h5,7-8,11,18H,2-4,6,9-10H2,1H3.
What are the key properties of 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 315.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109006495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).