1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H8Cl2F2N2O2 — CID 168697676

IUPAC1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)c(F)c(Cl)c2F)C1
InChIInChI=1S/C11H8Cl2F2N2O2/c12-5-2-6(10(15)8(13)9(5)14)17-3-4(11(16)19)1-7(17)18/h2,4H,1,3H2,(H2,16,19)
InChIKeyUYCMUUAWLHATSS-UHFFFAOYSA-N
MW309.10 g/mol
LogP2.11
Rot. Bonds2

About 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697676) has the molecular formula C11H8Cl2F2N2O2 and a molecular weight of 309.10 g/mol. Its IUPAC name is 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697676
Molecular FormulaC11H8Cl2F2N2O2
Molecular Weight309.10 g/mol
Exact Mass307.99
IUPAC Name1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)c(F)c(Cl)c2F)C1
InChIInChI=1S/C11H8Cl2F2N2O2/c12-5-2-6(10(15)8(13)9(5)14)17-3-4(11(16)19)1-7(17)18/h2,4H,1,3H2,(H2,16,19)
InChIKeyUYCMUUAWLHATSS-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697676) is 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Cl)c(F)c(Cl)c2F)C1.
What is the InChIKey of 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYCMUUAWLHATSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F2N2O2/c12-5-2-6(10(15)8(13)9(5)14)17-3-4(11(16)19)1-7(17)18/h2,4H,1,3H2,(H2,16,19).
What are the key properties of 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.10 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).