2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide

C14H17Cl3N2O — CID 106974176

IUPAC2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCCN1
InChIInChI=1S/C14H17Cl3N2O/c1-2-4-14(5-3-6-18-14)13(20)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,2-6H2,1H3,(H,19,20)
InChIKeyIHPFZFPSXQZOFG-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.51
Rot. Bonds4

About 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide

2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 106974176) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID106974176
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCCN1
InChIInChI=1S/C14H17Cl3N2O/c1-2-4-14(5-3-6-18-14)13(20)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,2-6H2,1H3,(H,19,20)
InChIKeyIHPFZFPSXQZOFG-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975900
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976614
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide (CID 106974176) is 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCCN1.
What is the InChIKey of 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is IHPFZFPSXQZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c1-2-4-14(5-3-6-18-14)13(20)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide?
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 335.66 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).