N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

C19H23Cl2N3O2 — CID 119455251

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H23Cl2N3O2/c20-12-6-11(7-13(21)8-12)19(26)24-5-1-2-17(24)18(25)23-16-9-14-3-4-15(10-16)22-14/h6-8,14-17,22H,1-5,9-10H2,(H,23,25)
InChIKeyLCUVEEJWMWABDL-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.00
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 119455251) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID119455251
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H23Cl2N3O2/c20-12-6-11(7-13(21)8-12)19(26)24-5-1-2-17(24)18(25)23-16-9-14-3-4-15(10-16)22-14/h6-8,14-17,22H,1-5,9-10H2,(H,23,25)
InChIKeyLCUVEEJWMWABDL-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 97341964
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119612884
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119459613
N-cyclopropyl-1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 60733404

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (CID 119455251) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is O=C(NC1CC2CCC(C1)N2)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is LCUVEEJWMWABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O2/c20-12-6-11(7-13(21)8-12)19(26)24-5-1-2-17(24)18(25)23-16-9-14-3-4-15(10-16)22-14/h6-8,14-17,22H,1-5,9-10H2,(H,23,25).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 396.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119455251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).