N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide

C12H14Cl2N2O — CID 102779613

IUPACN-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-6-15-10(7)12(17)16-11-8(13)3-2-4-9(11)14/h2-4,7,10,15H,5-6H2,1H3,(H,16,17)
InChIKeyUUZTVGAWPLLSBK-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.93
Rot. Bonds2

About N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide

N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779613) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779613
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-6-15-10(7)12(17)16-11-8(13)3-2-4-9(11)14/h2-4,7,10,15H,5-6H2,1H3,(H,16,17)
InChIKeyUUZTVGAWPLLSBK-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
CID 102779885
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102780141
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778094
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 102778230
3-methyl-N-(2-propylphenyl)pyrrolidine-2-carboxamide
CID 102777801

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide (CID 102779613) is N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is UUZTVGAWPLLSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-5-6-15-10(7)12(17)16-11-8(13)3-2-4-9(11)14/h2-4,7,10,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide?
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).