N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C25H27FN2O3 — CID 118398831

IUPACN,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCN(C)C(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1CC
InChIInChI=1S/C25H27FN2O3/c1-6-27(5)25(29)21-19-14-20(30-15(3)4)22-18(12-13-28(22)7-2)24(19)31-23(21)16-8-10-17(26)11-9-16/h8-15H,6-7H2,1-5H3
InChIKeyDTWFRLHQPYXGSY-UHFFFAOYSA-N
MW422.50 g/mol
LogP6.09
Rot. Bonds6

About N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (PubChem CID 118398831) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound NameN,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID118398831
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC NameN,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCN(C)C(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1CC
InChIInChI=1S/C25H27FN2O3/c1-6-27(5)25(29)21-19-14-20(30-15(3)4)22-18(12-13-28(22)7-2)24(19)31-23(21)16-8-10-17(26)11-9-16/h8-15H,6-7H2,1-5H3
InChIKeyDTWFRLHQPYXGSY-UHFFFAOYSA-N
XLogP6.09
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 118398831) is N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CCN(C)C(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1CC.
What is the InChIKey of N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is DTWFRLHQPYXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-6-27(5)25(29)21-19-14-20(30-15(3)4)22-18(12-13-28(22)7-2)24(19)31-23(21)16-8-10-17(26)11-9-16/h8-15H,6-7H2,1-5H3.
What are the key properties of N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118398831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).