N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide

C17H25ClN2O — CID 106974342

IUPACN-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(CC)c2cccc(Cl)c2)CCCN1
InChIInChI=1S/C17H25ClN2O/c1-3-9-17(10-6-11-19-17)16(21)20-15(4-2)13-7-5-8-14(18)12-13/h5,7-8,12,15,19H,3-4,6,9-11H2,1-2H3,(H,20,21)
InChIKeyOTAMEDOAYANZCE-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.83
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide

N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974342) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974342
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(CC)c2cccc(Cl)c2)CCCN1
InChIInChI=1S/C17H25ClN2O/c1-3-9-17(10-6-11-19-17)16(21)20-15(4-2)13-7-5-8-14(18)12-13/h5,7-8,12,15,19H,3-4,6,9-11H2,1-2H3,(H,20,21)
InChIKeyOTAMEDOAYANZCE-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
CID 104596194
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974771
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979821
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974390
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide (CID 106974342) is N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(CC)c2cccc(Cl)c2)CCCN1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is OTAMEDOAYANZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-9-17(10-6-11-19-17)16(21)20-15(4-2)13-7-5-8-14(18)12-13/h5,7-8,12,15,19H,3-4,6,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).