2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide

C19H28Cl2N2O — CID 110303185

IUPAC2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(C)C(C(=O)NCC(C)(C)N1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O/c1-13(2)17(14-7-8-15(20)16(21)11-14)18(24)22-12-19(3,4)23-9-5-6-10-23/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3,(H,22,24)
InChIKeyBMHIXOIGWSJZCX-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.72
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide

2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 110303185) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
PubChem CID110303185
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(C)C(C(=O)NCC(C)(C)N1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O/c1-13(2)17(14-7-8-15(20)16(21)11-14)18(24)22-12-19(3,4)23-9-5-6-10-23/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3,(H,22,24)
InChIKeyBMHIXOIGWSJZCX-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)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

2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
CID 110353481
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide
CID 110311155
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)-2-methylpropan-1-ol
CID 79051073
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 126435297
N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide
CID 55047578
N-[1-[(2-methyl-2-piperidin-1-ylpropyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51164355

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide (CID 110303185) is 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide is CC(C)C(C(=O)NCC(C)(C)N1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is BMHIXOIGWSJZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O/c1-13(2)17(14-7-8-15(20)16(21)11-14)18(24)22-12-19(3,4)23-9-5-6-10-23/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 371.35 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 110303185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).