N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H13ClF2N2O2 — CID 113190173

IUPACN-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C17H13ClF2N2O2/c18-14-8-12(4-5-15(14)20)21-17(24)10-6-16(23)22(9-10)13-3-1-2-11(19)7-13/h1-5,7-8,10H,6,9H2,(H,21,24)
InChIKeyZTVGRXYAYSSFCQ-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.61
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113190173) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113190173
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C17H13ClF2N2O2/c18-14-8-12(4-5-15(14)20)21-17(24)10-6-16(23)22(9-10)13-3-1-2-11(19)7-13/h1-5,7-8,10H,6,9H2,(H,21,24)
InChIKeyZTVGRXYAYSSFCQ-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
1-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17225383
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113192169
methyl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189474
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113190173) is N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTVGRXYAYSSFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2/c18-14-8-12(4-5-15(14)20)21-17(24)10-6-16(23)22(9-10)13-3-1-2-11(19)7-13/h1-5,7-8,10H,6,9H2,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113190173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).