2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide

C18H26Cl2N2O — CID 119535702

IUPAC2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCC(CC)(C(=O)NCCC1CCNC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-3-18(4-2,14-5-6-15(19)16(20)11-14)17(23)22-10-8-13-7-9-21-12-13/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H,22,23)
InChIKeyRHRSEYBDBVIVKT-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.17
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide

2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide (PubChem CID 119535702) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
PubChem CID119535702
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCC(CC)(C(=O)NCCC1CCNC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-3-18(4-2,14-5-6-15(19)16(20)11-14)17(23)22-10-8-13-7-9-21-12-13/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H,22,23)
InChIKeyRHRSEYBDBVIVKT-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535148
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63624344
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide (CID 119535702) is 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide is CCC(CC)(C(=O)NCCC1CCNC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
The InChIKey is RHRSEYBDBVIVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-3-18(4-2,14-5-6-15(19)16(20)11-14)17(23)22-10-8-13-7-9-21-12-13/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide has a molecular weight of 357.33 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide is sourced from PubChem (CID 119535702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).