N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide

C14H18Cl2N2O — CID 102777056

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9-4-6-17-13(9)14(19)18-7-5-10-2-3-11(15)8-12(10)16/h2-3,8-9,13,17H,4-7H2,1H3,(H,18,19)
InChIKeyCAELCZBMDXKOOZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777056) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102777056
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9-4-6-17-13(9)14(19)18-7-5-10-2-3-11(15)8-12(10)16/h2-3,8-9,13,17H,4-7H2,1H3,(H,18,19)
InChIKeyCAELCZBMDXKOOZ-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067147
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149558
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
(2S,4S)-N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120639627
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211031
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
trans-(1R,2R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625878

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide (CID 102777056) is N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is CAELCZBMDXKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9-4-6-17-13(9)14(19)18-7-5-10-2-3-11(15)8-12(10)16/h2-3,8-9,13,17H,4-7H2,1H3,(H,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).