1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H9Cl2FN2O2 — CID 168697899

IUPAC1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)c(F)c(Cl)c2)C1
InChIInChI=1S/C11H9Cl2FN2O2/c12-7-2-6(3-8(13)10(7)14)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4H2,(H2,15,18)
InChIKeyKXVICVKGXNPRDJ-UHFFFAOYSA-N
MW291.11 g/mol
LogP1.97
Rot. Bonds2

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

1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697899) has the molecular formula C11H9Cl2FN2O2 and a molecular weight of 291.11 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697899
Molecular FormulaC11H9Cl2FN2O2
Molecular Weight291.11 g/mol
Exact Mass290.00
IUPAC Name1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)c(F)c(Cl)c2)C1
InChIInChI=1S/C11H9Cl2FN2O2/c12-7-2-6(3-8(13)10(7)14)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4H2,(H2,15,18)
InChIKeyKXVICVKGXNPRDJ-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697676
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698246
(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
1-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42655789
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697899) is 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Cl)c(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KXVICVKGXNPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O2/c12-7-2-6(3-8(13)10(7)14)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4H2,(H2,15,18).
What are the key properties of 1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 291.11 g/mol, XLogP of 1.97, 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-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).