N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide

C28H28F3N3O2 — CID 11698904

IUPACN-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1
InChIInChI=1S/C28H28F3N3O2/c29-28(30,31)24-7-4-20(5-8-24)27(35)34(15-3-14-33-12-1-2-13-33)18-25-17-23(19-36-25)21-6-9-26-22(16-21)10-11-32-26/h4-11,16-17,19,32H,1-3,12-15,18H2
InChIKeyOVCJQDAKFFGOCX-UHFFFAOYSA-N
MW495.55 g/mol
LogP6.57
Rot. Bonds8

About N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide

N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide (PubChem CID 11698904) has the molecular formula C28H28F3N3O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide
PubChem CID11698904
Molecular FormulaC28H28F3N3O2
Molecular Weight495.55 g/mol
Exact Mass495.21
IUPAC NameN-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1
InChIInChI=1S/C28H28F3N3O2/c29-28(30,31)24-7-4-20(5-8-24)27(35)34(15-3-14-33-12-1-2-13-33)18-25-17-23(19-36-25)21-6-9-26-22(16-21)10-11-32-26/h4-11,16-17,19,32H,1-3,12-15,18H2
InChIKeyOVCJQDAKFFGOCX-UHFFFAOYSA-N
XLogP6.57
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 56.57
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-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide (CID 11698904) is N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(CCCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1.
What is the InChIKey of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The InChIKey is OVCJQDAKFFGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O2/c29-28(30,31)24-7-4-20(5-8-24)27(35)34(15-3-14-33-12-1-2-13-33)18-25-17-23(19-36-25)21-6-9-26-22(16-21)10-11-32-26/h4-11,16-17,19,32H,1-3,12-15,18H2.
What are the key properties of N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide has a molecular weight of 495.55 g/mol, XLogP of 6.57, 8 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-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11698904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).