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

C12H12ClFN2O2 — CID 5305509

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)
InChIKeyIDAJIKLPFGRPLS-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.90
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 5305509) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID5305509
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)
InChIKeyIDAJIKLPFGRPLS-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 5305509) is N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)Nc2ccc(F)c(Cl)c2)CC1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IDAJIKLPFGRPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.69 g/mol, XLogP of 1.90, 2 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-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5305509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).