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

C21H21FN2O3 — CID 163379508

IUPAC5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C21H21FN2O3/c1-13-20(21(25)24-15-8-9-23-11-15)17-10-16(6-7-19(17)27-13)26-12-14-4-2-3-5-18(14)22/h2-7,10,15,23H,8-9,11-12H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyVRHILIRFRUKBDC-HNNXBMFYSA-N
MW368.41 g/mol
LogP3.55
Rot. Bonds5

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

5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 163379508) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
PubChem CID163379508
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C21H21FN2O3/c1-13-20(21(25)24-15-8-9-23-11-15)17-10-16(6-7-19(17)27-13)26-12-14-4-2-3-5-18(14)22/h2-7,10,15,23H,8-9,11-12H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyVRHILIRFRUKBDC-HNNXBMFYSA-N
XLogP3.55
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
2-methyl-N-pyrrolidin-3-yl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxamide
CID 175486601
5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379434
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
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-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163379346
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide (CID 163379508) is 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)N[C@H]1CCNC1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is VRHILIRFRUKBDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13-20(21(25)24-15-8-9-23-11-15)17-10-16(6-7-19(17)27-13)26-12-14-4-2-3-5-18(14)22/h2-7,10,15,23H,8-9,11-12H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide?
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).