6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide

C25H29FN2O4 — CID 69464102

IUPAC6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CC(C)O[C@@H](C)C3)cc(OC(C)C)c12
InChIInChI=1S/C25H29FN2O4/c1-14(2)30-20-10-19(28-12-15(3)31-16(4)13-28)11-21-22(20)23(25(29)27-5)24(32-21)17-6-8-18(26)9-7-17/h6-11,14-16H,12-13H2,1-5H3,(H,27,29)/t15-,16?/m0/s1
InChIKeyWRIOACJJSLGREH-VYRBHSGPSA-N
MW440.52 g/mol
LogP5.00
Rot. Bonds5

About 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide

6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide (PubChem CID 69464102) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide
PubChem CID69464102
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CC(C)O[C@@H](C)C3)cc(OC(C)C)c12
InChIInChI=1S/C25H29FN2O4/c1-14(2)30-20-10-19(28-12-15(3)31-16(4)13-28)11-21-22(20)23(25(29)27-5)24(32-21)17-6-8-18(26)9-7-17/h6-11,14-16H,12-13H2,1-5H3,(H,27,29)/t15-,16?/m0/s1
InChIKeyWRIOACJJSLGREH-VYRBHSGPSA-N
XLogP5.00
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
CID 25095607
2-(4-fluorophenyl)-N-methyl-6-(4-oxidothiomorpholin-4-ium-4-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
CID 87443789
2-(4-fluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773650
2-(4-fluorophenyl)-6-(3-hydroxypiperidin-1-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773533
6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-7,8-dihydrofuro[2,3-e]indole-3-carboxamide
CID 135267657
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
CID 10474183
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
CID 145056932
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid
CID 118398838
5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
CID 25095605
6-[(dimethylamino)methyl]-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773399
6-(carbamoylamino)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773577

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide (CID 69464102) is 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CC(C)O[C@@H](C)C3)cc(OC(C)C)c12.
What is the InChIKey of 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide?
The InChIKey is WRIOACJJSLGREH-VYRBHSGPSA-N. The full InChI is InChI=1S/C25H29FN2O4/c1-14(2)30-20-10-19(28-12-15(3)31-16(4)13-28)11-21-22(20)23(25(29)27-5)24(32-21)17-6-8-18(26)9-7-17/h6-11,14-16H,12-13H2,1-5H3,(H,27,29)/t15-,16?/m0/s1.
What are the key properties of 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide?
6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 69464102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).