1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride

C15H20ClF2N3O2 — CID 120829415

IUPAC1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O.Cl
InChIInChI=1S/C15H19F2N3O2.ClH/c1-9(18-2)8-19-14(21)11-5-6-20(15(11)22)10-3-4-12(16)13(17)7-10;/h3-4,7,9,11,18H,5-6,8H2,1-2H3,(H,19,21);1H
InChIKeyIFEPXELHCJUOMZ-UHFFFAOYSA-N
MW347.79 g/mol
LogP1.46
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride

1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120829415) has the molecular formula C15H20ClF2N3O2 and a molecular weight of 347.79 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120829415
Molecular FormulaC15H20ClF2N3O2
Molecular Weight347.79 g/mol
Exact Mass347.12
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O.Cl
InChIInChI=1S/C15H19F2N3O2.ClH/c1-9(18-2)8-19-14(21)11-5-6-20(15(11)22)10-3-4-12(16)13(17)7-10;/h3-4,7,9,11,18H,5-6,8H2,1-2H3,(H,19,21);1H
InChIKeyIFEPXELHCJUOMZ-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 136578737
(2R)-3-[[(3S)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 124690681
1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 42853556
N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
CID 46048952
(3S)-1-(3,4-difluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 94469084
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
3-[[(3S)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125154283
3-[[1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119362406
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796
(3R)-N-(1-cyanocyclobutyl)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 124885270

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120829415) is 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O.Cl.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IFEPXELHCJUOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2.ClH/c1-9(18-2)8-19-14(21)11-5-6-20(15(11)22)10-3-4-12(16)13(17)7-10;/h3-4,7,9,11,18H,5-6,8H2,1-2H3,(H,19,21);1H.
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride?
1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 347.79 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120829415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).