N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide

C17H22Cl2N2O2 — CID 55609027

IUPACN-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCCCCN(C)C(=O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-3-4-7-20(2)17(23)15-6-5-8-21(15)16(22)12-9-13(18)11-14(19)10-12/h9-11,15H,3-8H2,1-2H3
InChIKeyJZOCPDWKJPZJCZ-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.86
Rot. Bonds5

About N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide

N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 55609027) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID55609027
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCCCCN(C)C(=O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-3-4-7-20(2)17(23)15-6-5-8-21(15)16(22)12-9-13(18)11-14(19)10-12/h9-11,15H,3-8H2,1-2H3
InChIKeyJZOCPDWKJPZJCZ-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110415924
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55607635
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 55654348

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide (CID 55609027) is N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide is CCCCN(C)C(=O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JZOCPDWKJPZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-3-4-7-20(2)17(23)15-6-5-8-21(15)16(22)12-9-13(18)11-14(19)10-12/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 357.28 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55609027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).