N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide

C32H30FN3O2 — CID 155532953

IUPACN-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide
SMILESCN(CCc1ccc(Oc2ccccc2)cc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C32H30FN3O2/c1-35(19-18-23-8-15-29(16-9-23)38-28-6-4-3-5-7-28)21-25-22-36(2)31-17-10-24(20-30(25)31)32(37)34-27-13-11-26(33)12-14-27/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
InChIKeyMYAQWTQZGOPKAN-UHFFFAOYSA-N
MW507.61 g/mol
LogP7.04
Rot. Bonds9

About N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide

N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide (PubChem CID 155532953) has the molecular formula C32H30FN3O2 and a molecular weight of 507.61 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide
PubChem CID155532953
Molecular FormulaC32H30FN3O2
Molecular Weight507.61 g/mol
Exact Mass507.23
IUPAC NameN-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide
SMILESCN(CCc1ccc(Oc2ccccc2)cc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C32H30FN3O2/c1-35(19-18-23-8-15-29(16-9-23)38-28-6-4-3-5-7-28)21-25-22-36(2)31-17-10-24(20-30(25)31)32(37)34-27-13-11-26(33)12-14-27/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
InChIKeyMYAQWTQZGOPKAN-UHFFFAOYSA-N
XLogP7.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide (CID 155532953) is N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide is CN(CCc1ccc(Oc2ccccc2)cc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide?
The InChIKey is MYAQWTQZGOPKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O2/c1-35(19-18-23-8-15-29(16-9-23)38-28-6-4-3-5-7-28)21-25-22-36(2)31-17-10-24(20-30(25)31)32(37)34-27-13-11-26(33)12-14-27/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37).
What are the key properties of N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide?
N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide has a molecular weight of 507.61 g/mol, XLogP of 7.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenoxyphenyl)ethyl]amino]methyl]indole-5-carboxamide is sourced from PubChem (CID 155532953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).