1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C15H19Cl2N3O2 — CID 120832737

IUPAC1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(C)CNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(18-2)7-19-15(22)10-3-14(21)20(8-10)13-5-11(16)4-12(17)6-13/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,19,22)
InChIKeyGETLFOUCITVCBI-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.07
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide

1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 120832737) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID120832737
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(C)CNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(18-2)7-19-15(22)10-3-14(21)20(8-10)13-5-11(16)4-12(17)6-13/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,19,22)
InChIKeyGETLFOUCITVCBI-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
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
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
(3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 124603409
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3159237

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 120832737) is 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CNC(C)CNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GETLFOUCITVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(18-2)7-19-15(22)10-3-14(21)20(8-10)13-5-11(16)4-12(17)6-13/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,19,22).
What are the key properties of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).