5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide

C39H37ClFN3O3 — CID 123735636

IUPAC5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide
SMILESCCN(CC(C)(C)c1ccc(Cl)cc1)C(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c3ccn(CC)c23)c1
InChIInChI=1S/C39H37ClFN3O3/c1-6-43-20-19-30-34(43)31(22-32-33(37(45)42-5)35(47-36(30)32)24-11-17-29(41)18-12-24)25-9-8-10-26(21-25)38(46)44(7-2)23-39(3,4)27-13-15-28(40)16-14-27/h8-22H,6-7,23H2,1-5H3,(H,42,45)
InChIKeyKGZBUFDIQPZGHU-UHFFFAOYSA-N
MW650.19 g/mol
LogP9.33
Rot. Bonds9

About 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide

5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide (PubChem CID 123735636) has the molecular formula C39H37ClFN3O3 and a molecular weight of 650.19 g/mol. Its IUPAC name is 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide
PubChem CID123735636
Molecular FormulaC39H37ClFN3O3
Molecular Weight650.19 g/mol
Exact Mass649.25
IUPAC Name5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide
SMILESCCN(CC(C)(C)c1ccc(Cl)cc1)C(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c3ccn(CC)c23)c1
InChIInChI=1S/C39H37ClFN3O3/c1-6-43-20-19-30-34(43)31(22-32-33(37(45)42-5)35(47-36(30)32)24-11-17-29(41)18-12-24)25-9-8-10-26(21-25)38(46)44(7-2)23-39(3,4)27-13-15-28(40)16-14-27/h8-22H,6-7,23H2,1-5H3,(H,42,45)
InChIKeyKGZBUFDIQPZGHU-UHFFFAOYSA-N
XLogP9.33
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.19
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide (CID 123735636) is 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide is CCN(CC(C)(C)c1ccc(Cl)cc1)C(=O)c1cccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c3ccn(CC)c23)c1.
What is the InChIKey of 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide?
The InChIKey is KGZBUFDIQPZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37ClFN3O3/c1-6-43-20-19-30-34(43)31(22-32-33(37(45)42-5)35(47-36(30)32)24-11-17-29(41)18-12-24)25-9-8-10-26(21-25)38(46)44(7-2)23-39(3,4)27-13-15-28(40)16-14-27/h8-22H,6-7,23H2,1-5H3,(H,42,45).
What are the key properties of 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide?
5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide has a molecular weight of 650.19 g/mol, XLogP of 9.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 123735636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).