N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide

C19H16ClFN2O3 — CID 24851726

IUPACN-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide
SMILESCN(C(=O)N1CCC2(C1)OC(=O)c1ccccc12)c1ccc(Cl)cc1F
InChIInChI=1S/C19H16ClFN2O3/c1-22(16-7-6-12(20)10-15(16)21)18(25)23-9-8-19(11-23)14-5-3-2-4-13(14)17(24)26-19/h2-7,10H,8-9,11H2,1H3
InChIKeyGOVLVGGHUVCYEH-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.81
Rot. Bonds1

About N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide

N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide (PubChem CID 24851726) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide
PubChem CID24851726
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide
SMILESCN(C(=O)N1CCC2(C1)OC(=O)c1ccccc12)c1ccc(Cl)cc1F
InChIInChI=1S/C19H16ClFN2O3/c1-22(16-7-6-12(20)10-15(16)21)18(25)23-9-8-19(11-23)14-5-3-2-4-13(14)17(24)26-19/h2-7,10H,8-9,11H2,1H3
InChIKeyGOVLVGGHUVCYEH-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide (CID 24851726) is N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide is CN(C(=O)N1CCC2(C1)OC(=O)c1ccccc12)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is GOVLVGGHUVCYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-22(16-7-6-12(20)10-15(16)21)18(25)23-9-8-19(11-23)14-5-3-2-4-13(14)17(24)26-19/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide?
N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-N-methyl-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 24851726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).