5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide

C21H20F2N2O3 — CID 163379483

IUPAC5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccc(F)c3F)cc2c1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C21H20F2N2O3/c1-12-19(21(26)25-14-7-8-24-10-14)16-9-15(5-6-18(16)28-12)27-11-13-3-2-4-17(22)20(13)23/h2-6,9,14,24H,7-8,10-11H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeyWPMAGCVJKAFUBL-AWEZNQCLSA-N
MW386.40 g/mol
LogP3.69
Rot. Bonds5

About 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide

5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 163379483) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
PubChem CID163379483
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccc(F)c3F)cc2c1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C21H20F2N2O3/c1-12-19(21(26)25-14-7-8-24-10-14)16-9-15(5-6-18(16)28-12)27-11-13-3-2-4-17(22)20(13)23/h2-6,9,14,24H,7-8,10-11H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeyWPMAGCVJKAFUBL-AWEZNQCLSA-N
XLogP3.69
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
2-methyl-N-pyrrolidin-3-yl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxamide
CID 175486601
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379434
2-methyl-N-[(3R)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]ethoxy]-1-benzofuran-3-carboxamide
CID 163379593
2-methyl-N-[(3S)-pyrrolidin-3-yl]-5-[1-[2-(trifluoromethyl)phenyl]propoxy]-1-benzofuran-3-carboxamide
CID 163379675
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380842
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380334

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide (CID 163379483) is 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cccc(F)c3F)cc2c1C(=O)N[C@H]1CCNC1.
What is the InChIKey of 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is WPMAGCVJKAFUBL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-12-19(21(26)25-14-7-8-24-10-14)16-9-15(5-6-18(16)28-12)27-11-13-3-2-4-17(22)20(13)23/h2-6,9,14,24H,7-8,10-11H2,1H3,(H,25,26)/t14-/m0/s1.
What are the key properties of 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).