2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide

C24H22FN3O5 — CID 118398812

IUPAC2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)C(=O)c1c[nH]c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C24H22FN3O5/c1-11(2)32-16-9-14-18(23(30)26-3)21(12-5-7-13(25)8-6-12)33-22(14)17-15(10-28-19(16)17)20(29)24(31)27-4/h5-11,28H,1-4H3,(H,26,30)(H,27,31)
InChIKeyDAKRYXFTRDBJLF-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.80
Rot. Bonds6

About 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide

2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 118398812) has the molecular formula C24H22FN3O5 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
PubChem CID118398812
Molecular FormulaC24H22FN3O5
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)C(=O)c1c[nH]c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C24H22FN3O5/c1-11(2)32-16-9-14-18(23(30)26-3)21(12-5-7-13(25)8-6-12)33-22(14)17-15(10-28-19(16)17)20(29)24(31)27-4/h5-11,28H,1-4H3,(H,26,30)(H,27,31)
InChIKeyDAKRYXFTRDBJLF-UHFFFAOYSA-N
XLogP3.80
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide (CID 118398812) is 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide is CNC(=O)C(=O)c1c[nH]c2c(OC(C)C)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
The InChIKey is DAKRYXFTRDBJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5/c1-11(2)32-16-9-14-18(23(30)26-3)21(12-5-7-13(25)8-6-12)33-22(14)17-15(10-28-19(16)17)20(29)24(31)27-4/h5-11,28H,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118398812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).