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

C14H18Cl2N2O — CID 110856253

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-18-8-2-3-13(18)14(19)17-7-6-10-4-5-11(15)9-12(10)16/h4-5,9,13H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyDEPNFITWAYCKHW-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.75
Rot. Bonds4

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

N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 110856253) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID110856253
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-18-8-2-3-13(18)14(19)17-7-6-10-4-5-11(15)9-12(10)16/h4-5,9,13H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyDEPNFITWAYCKHW-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131873
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 58708246
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067147
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]-3-methylpyrrolidine-2-carboxamide
CID 102777056
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973689
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide (CID 110856253) is N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is DEPNFITWAYCKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18-8-2-3-13(18)14(19)17-7-6-10-4-5-11(15)9-12(10)16/h4-5,9,13H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110856253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).