2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C17H24Cl2N2O — CID 134046949

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N2O/c1-12(2)21-8-6-14(7-9-21)20(3)17(22)11-13-4-5-15(18)16(19)10-13/h4-5,10,12,14H,6-9,11H2,1-3H3
InChIKeyJSEHKXGQUBPLLI-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 134046949) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID134046949
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N2O/c1-12(2)21-8-6-14(7-9-21)20(3)17(22)11-13-4-5-15(18)16(19)10-13/h4-5,10,12,14H,6-9,11H2,1-3H3
InChIKeyJSEHKXGQUBPLLI-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride
CID 22161806
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
N-methyl-2-(4-phenylphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide;hydrochloride
CID 10156170
N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 23339055
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl]acetamide
CID 15940203
2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide
CID 22076302
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 134046949) is 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is JSEHKXGQUBPLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-12(2)21-8-6-14(7-9-21)20(3)17(22)11-13-4-5-15(18)16(19)10-13/h4-5,10,12,14H,6-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 343.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 134046949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).