1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C19H19ClFN3O2 — CID 22429065

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFN3O2/c1-19(18(26)23-11-13-3-2-8-22-10-13)7-6-17(25)24(19)12-14-4-5-15(21)9-16(14)20/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,26)
InChIKeyHNKPXZKAGUMQRA-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.07
Rot. Bonds5

About 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 22429065) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID22429065
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFN3O2/c1-19(18(26)23-11-13-3-2-8-22-10-13)7-6-17(25)24(19)12-14-4-5-15(21)9-16(14)20/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,26)
InChIKeyHNKPXZKAGUMQRA-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 22429065) is 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HNKPXZKAGUMQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-19(18(26)23-11-13-3-2-8-22-10-13)7-6-17(25)24(19)12-14-4-5-15(21)9-16(14)20/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,26).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22429065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).