N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide

C16H22Cl2N2O — CID 106974134

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccc(Cl)cc2Cl)CCCN1
InChIInChI=1S/C16H22Cl2N2O/c1-3-7-16(8-4-9-19-16)15(21)20-11(2)13-6-5-12(17)10-14(13)18/h5-6,10-11,19H,3-4,7-9H2,1-2H3,(H,20,21)
InChIKeyDNEYGCZTOLCKDV-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974134) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974134
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccc(Cl)cc2Cl)CCCN1
InChIInChI=1S/C16H22Cl2N2O/c1-3-7-16(8-4-9-19-16)15(21)20-11(2)13-6-5-12(17)10-14(13)18/h5-6,10-11,19H,3-4,7-9H2,1-2H3,(H,20,21)
InChIKeyDNEYGCZTOLCKDV-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974513
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974390
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
CID 106974342
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83072179
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975742
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976614

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide (CID 106974134) is N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(C)c2ccc(Cl)cc2Cl)CCCN1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is DNEYGCZTOLCKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-3-7-16(8-4-9-19-16)15(21)20-11(2)13-6-5-12(17)10-14(13)18/h5-6,10-11,19H,3-4,7-9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).