N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

C18H21Cl2N3O2 — CID 119459613

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H21Cl2N3O2/c19-11-4-12(20)6-16(5-11)23-9-10(3-17(23)24)18(25)22-15-7-13-1-2-14(8-15)21-13/h4-6,10,13-15,21H,1-3,7-9H2,(H,22,25)
InChIKeyLSDPLWHMTFEFRD-UHFFFAOYSA-N
MW382.29 g/mol
LogP2.75
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119459613) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119459613
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H21Cl2N3O2/c19-11-4-12(20)6-16(5-11)23-9-10(3-17(23)24)18(25)22-15-7-13-1-2-14(8-15)21-13/h4-6,10,13-15,21H,1-3,7-9H2,(H,22,25)
InChIKeyLSDPLWHMTFEFRD-UHFFFAOYSA-N
XLogP2.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119459681
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119457640
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 97040001
1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107
N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119409022
1-(3,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191135
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119564050
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120832737
ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 55575078

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 119459613) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CC2CCC(C1)N2)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LSDPLWHMTFEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c19-11-4-12(20)6-16(5-11)23-9-10(3-17(23)24)18(25)22-15-7-13-1-2-14(8-15)21-13/h4-6,10,13-15,21H,1-3,7-9H2,(H,22,25).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.29 g/mol, XLogP of 2.75, 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-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119459613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).