2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide

C21H21FN2O3 — CID 10474183

IUPAC2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3)c(OC)cc12
InChIInChI=1S/C21H21FN2O3/c1-23-21(25)19-15-11-18(26-2)16(24-9-3-4-10-24)12-17(15)27-20(19)13-5-7-14(22)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKeyCCVWNFVJGCUAPV-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.21
Rot. Bonds4

About 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide (PubChem CID 10474183) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
PubChem CID10474183
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3)c(OC)cc12
InChIInChI=1S/C21H21FN2O3/c1-23-21(25)19-15-11-18(26-2)16(24-9-3-4-10-24)12-17(15)27-20(19)13-5-7-14(22)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKeyCCVWNFVJGCUAPV-UHFFFAOYSA-N
XLogP4.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-(2-methoxyethoxy)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
CID 10048210
2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxy]-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
CID 10074312
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
5-(4-fluorophenyl)-N-methyl-15-methylsulfonylspiro[4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-10,1'-cyclopropane]-6-carboxamide
CID 70800742
6-ethoxy-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 118682835
2-(4-fluorophenyl)-6-(3-hydroxypiperidin-1-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773533
8-(4-fluorophenyl)-N,4,5-trimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][1,4]benzodiazepine-7-carboxamide
CID 57330482
2-(4-fluorophenyl)-5-(2-hydroxypropoxy)-6-morpholin-4-yl-1-benzofuran-3-carboxylic acid
CID 142773423
2-[4-(4-fluorophenoxy)phenyl]-N,5-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
CID 57330361
[2-(4-fluorophenyl)-6-(methanesulfonamido)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 87539422
(5S)-8-(4-fluorophenyl)-N,5-dimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-7-carboxamide
CID 57330658
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide (CID 10474183) is 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3)c(OC)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide?
The InChIKey is CCVWNFVJGCUAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-23-21(25)19-15-11-18(26-2)16(24-9-3-4-10-24)12-17(15)27-20(19)13-5-7-14(22)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10474183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).