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

C23H18ClFN2O5 — CID 118384377

IUPAC2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]cc(C(=O)C(=O)Cl)c12
InChIInChI=1S/C23H18ClFN2O5/c1-10(2)31-15-8-13-17(23(30)26-3)20(11-4-6-12(25)7-5-11)32-21(13)16-14(9-27-18(15)16)19(28)22(24)29/h4-10,27H,1-3H3,(H,26,30)
InChIKeyFAXAJTMBTUEFQP-UHFFFAOYSA-N
MW456.86 g/mol
LogP4.82
Rot. Bonds6

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

2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride (PubChem CID 118384377) has the molecular formula C23H18ClFN2O5 and a molecular weight of 456.86 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-oxoacetyl chloride.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride
PubChem CID118384377
Molecular FormulaC23H18ClFN2O5
Molecular Weight456.86 g/mol
Exact Mass456.09
IUPAC Name2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]cc(C(=O)C(=O)Cl)c12
InChIInChI=1S/C23H18ClFN2O5/c1-10(2)31-15-8-13-17(23(30)26-3)20(11-4-6-12(25)7-5-11)32-21(13)16-14(9-27-18(15)16)19(28)22(24)29/h4-10,27H,1-3H3,(H,26,30)
InChIKeyFAXAJTMBTUEFQP-UHFFFAOYSA-N
XLogP4.82
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.86
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-oxoacetyl chloride?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride (CID 118384377) is 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride.
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-oxoacetyl chloride?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]cc(C(=O)C(=O)Cl)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-oxoacetyl chloride?
The InChIKey is FAXAJTMBTUEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O5/c1-10(2)31-15-8-13-17(23(30)26-3)20(11-4-6-12(25)7-5-11)32-21(13)16-14(9-27-18(15)16)19(28)22(24)29/h4-10,27H,1-3H3,(H,26,30).
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-oxoacetyl chloride?
2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride has a molecular weight of 456.86 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 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-oxoacetyl chloride is sourced from PubChem (CID 118384377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).