2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide

C24H25F3N2O3 — CID 163379675

IUPAC2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide
SMILESCCC(Oc1ccc2oc(C)c(C(=O)N[C@H]3CCNC3)c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H25F3N2O3/c1-3-20(17-6-4-5-7-19(17)24(25,26)27)32-16-8-9-21-18(12-16)22(14(2)31-21)23(30)29-15-10-11-28-13-15/h4-9,12,15,20,28H,3,10-11,13H2,1-2H3,(H,29,30)/t15-,20?/m0/s1
InChIKeyZCHOVLBFDUSUKC-OOJLDXBWSA-N
MW446.47 g/mol
LogP5.38
Rot. Bonds6

About 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide

2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide (PubChem CID 163379675) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide
PubChem CID163379675
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide
SMILESCCC(Oc1ccc2oc(C)c(C(=O)N[C@H]3CCNC3)c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H25F3N2O3/c1-3-20(17-6-4-5-7-19(17)24(25,26)27)32-16-8-9-21-18(12-16)22(14(2)31-21)23(30)29-15-10-11-28-13-15/h4-9,12,15,20,28H,3,10-11,13H2,1-2H3,(H,29,30)/t15-,20?/m0/s1
InChIKeyZCHOVLBFDUSUKC-OOJLDXBWSA-N
XLogP5.38
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-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 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide (CID 163379675) is 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide is CCC(Oc1ccc2oc(C)c(C(=O)N[C@H]3CCNC3)c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide?
The InChIKey is ZCHOVLBFDUSUKC-OOJLDXBWSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-3-20(17-6-4-5-7-19(17)24(25,26)27)32-16-8-9-21-18(12-16)22(14(2)31-21)23(30)29-15-10-11-28-13-15/h4-9,12,15,20,28H,3,10-11,13H2,1-2H3,(H,29,30)/t15-,20?/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide?
2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).