2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C16H23Cl2N3O — CID 10337537

IUPAC2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESNCC(=O)N(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1
InChIInChI=1S/C16H23Cl2N3O/c17-14-4-3-13(11-15(14)18)5-8-21(16(22)12-19)10-9-20-6-1-2-7-20/h3-4,11H,1-2,5-10,12,19H2
InChIKeyVJGYIXSTZSERDM-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.42
Rot. Bonds7

About 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 10337537) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID10337537
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESNCC(=O)N(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1
InChIInChI=1S/C16H23Cl2N3O/c17-14-4-3-13(11-15(14)18)5-8-21(16(22)12-19)10-9-20-6-1-2-7-20/h3-4,11H,1-2,5-10,12,19H2
InChIKeyVJGYIXSTZSERDM-UHFFFAOYSA-N
XLogP2.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide
CID 60600929
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
CID 119866058
N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-pyrrolidin-1-ylpropylamino)ethyl]propanamide
CID 118692899
N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 47084250
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 70421787
1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
CID 594236

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 10337537) is 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is NCC(=O)N(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1.
What is the InChIKey of 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VJGYIXSTZSERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c17-14-4-3-13(11-15(14)18)5-8-21(16(22)12-19)10-9-20-6-1-2-7-20/h3-4,11H,1-2,5-10,12,19H2.
What are the key properties of 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 344.29 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 10337537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).