N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide

C27H26F3N3O2 — CID 11663015

IUPACN-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1
InChIInChI=1S/C27H26F3N3O2/c28-27(29,30)23-6-3-19(4-7-23)26(34)33(14-13-32-11-1-2-12-32)17-24-16-22(18-35-24)20-5-8-25-21(15-20)9-10-31-25/h3-10,15-16,18,31H,1-2,11-14,17H2
InChIKeyCWLGPJRYTWNWLZ-UHFFFAOYSA-N
MW481.52 g/mol
LogP6.18
Rot. Bonds7

About N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide

N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide (PubChem CID 11663015) has the molecular formula C27H26F3N3O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide
PubChem CID11663015
Molecular FormulaC27H26F3N3O2
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC NameN-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1
InChIInChI=1S/C27H26F3N3O2/c28-27(29,30)23-6-3-19(4-7-23)26(34)33(14-13-32-11-1-2-12-32)17-24-16-22(18-35-24)20-5-8-25-21(15-20)9-10-31-25/h3-10,15-16,18,31H,1-2,11-14,17H2
InChIKeyCWLGPJRYTWNWLZ-UHFFFAOYSA-N
XLogP6.18
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide (CID 11663015) is N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1.
What is the InChIKey of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CWLGPJRYTWNWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O2/c28-27(29,30)23-6-3-19(4-7-23)26(34)33(14-13-32-11-1-2-12-32)17-24-16-22(18-35-24)20-5-8-25-21(15-20)9-10-31-25/h3-10,15-16,18,31H,1-2,11-14,17H2.
What are the key properties of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide?
N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 481.52 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11663015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).