N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C15H19Cl2N3O2 — CID 119585272

IUPACN-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(CN)N(C)C(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(7-18)19(2)15(22)10-3-14(21)20(8-10)13-5-11(16)4-12(17)6-13/h4-6,9-10H,3,7-8,18H2,1-2H3
InChIKeyCOKIYFUEZKSSCX-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.15
Rot. Bonds4

About N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119585272) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119585272
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(CN)N(C)C(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(7-18)19(2)15(22)10-3-14(21)20(8-10)13-5-11(16)4-12(17)6-13/h4-6,9-10H,3,7-8,18H2,1-2H3
InChIKeyCOKIYFUEZKSSCX-UHFFFAOYSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191157
1-(4-chlorophenyl)-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 87024320
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9391631
N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46705245
1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120832737
N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119409022
2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 120520365
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119656804
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
1-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191199
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
N-(1-aminopropan-2-yl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119582564

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 119585272) is N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CC(CN)N(C)C(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is COKIYFUEZKSSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(7-18)19(2)15(22)10-3-14(21)20(8-10)13-5-11(16)4-12(17)6-13/h4-6,9-10H,3,7-8,18H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119585272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).