2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid

C23H19FN2O6 — CID 118398838

IUPAC2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]cc(C(=O)C(=O)O)c12
InChIInChI=1S/C23H19FN2O6/c1-10(2)31-15-8-13-17(22(28)25-3)20(11-4-6-12(24)7-5-11)32-21(13)16-14(9-26-18(15)16)19(27)23(29)30/h4-10,26H,1-3H3,(H,25,28)(H,29,30)
InChIKeyZUXLEMIPMMNSDB-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.13
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid

2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid (PubChem CID 118398838) has the molecular formula C23H19FN2O6 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid
PubChem CID118398838
Molecular FormulaC23H19FN2O6
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]cc(C(=O)C(=O)O)c12
InChIInChI=1S/C23H19FN2O6/c1-10(2)31-15-8-13-17(22(28)25-3)20(11-4-6-12(24)7-5-11)32-21(13)16-14(9-26-18(15)16)19(27)23(29)30/h4-10,26H,1-3H3,(H,25,28)(H,29,30)
InChIKeyZUXLEMIPMMNSDB-UHFFFAOYSA-N
XLogP4.13
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 160732128
6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-7,8-dihydrofuro[2,3-e]indole-3-carboxamide
CID 135267657
N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide;8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 159574392
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-(4-fluorophenyl)-N-methyl-6-(4-oxidothiomorpholin-4-ium-4-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
CID 87443789
6-(carbamoylamino)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773577
3-amino-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 143956974
[6-[bis(methylsulfonyl)amino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 59275442
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-methylsulfanylfuro[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-N-methyl-6-methylsulfanyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 144928419
[2-(4-fluorophenyl)-6-(methanesulfonamido)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 87539422
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propan-2-yloxyphenyl]-1-benzofuran-3-carboxamide
CID 58472511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid (CID 118398838) is 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]cc(C(=O)C(=O)O)c12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid?
The InChIKey is ZUXLEMIPMMNSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O6/c1-10(2)31-15-8-13-17(22(28)25-3)20(11-4-6-12(24)7-5-11)32-21(13)16-14(9-26-18(15)16)19(27)23(29)30/h4-10,26H,1-3H3,(H,25,28)(H,29,30).
What are the key properties of 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid?
2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid has a molecular weight of 438.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid is sourced from PubChem (CID 118398838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).