N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide

C13H16Cl2N2O — CID 59715448

IUPACN-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide
SMILESCC1CC(C)N(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-3-9(2)17(7-8)13(18)16-12-5-10(14)4-11(15)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)
InChIKeyGGHCCASBEJDHFY-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.26
Rot. Bonds1

About N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide

N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide (PubChem CID 59715448) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide
PubChem CID59715448
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide
SMILESCC1CC(C)N(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-3-9(2)17(7-8)13(18)16-12-5-10(14)4-11(15)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)
InChIKeyGGHCCASBEJDHFY-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152
N-(3,5-dichlorophenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 31045251
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
4-acetyl-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 136532879
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102976072
(2R)-2,5-dimethyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 143234820
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336395

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide (CID 59715448) is N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide is CC1CC(C)N(C(=O)Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide?
The InChIKey is GGHCCASBEJDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-3-9(2)17(7-8)13(18)16-12-5-10(14)4-11(15)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide?
N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 59715448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).