N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide

C34H31F2N3O2 — CID 152655890

About N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide

N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide (PubChem CID 152655890) has the molecular formula C34H31F2N3O2 and a molecular weight of 551.64 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide
• PubChem CID: 152655890
• Molecular Formula: C34H31F2N3O2
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.24
• IUPAC Name: N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide
• SMILES: CCCN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1c(F)cccc1F
• InChI: InChI=1S/C34H31F2N3O2/c1-2-19-39(20-18-23-21-37-32-17-8-7-10-24(23)32)34(41)28-14-6-4-12-26(28)25-11-3-5-13-27(25)33(40)38-22-29-30(35)15-9-16-31(29)36/h3-17,21,37H,2,18-20,22H2,1H3,(H,38,40)
• InChIKey: ZINHDBFCYAYXPT-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide?

The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide (CID 152655890) is N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide.

What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide?

The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide is CCCN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1c(F)cccc1F.

What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide?

The InChIKey is ZINHDBFCYAYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N3O2/c1-2-19-39(20-18-23-21-37-32-17-8-7-10-24(23)32)34(41)28-14-6-4-12-26(28)25-11-3-5-13-27(25)33(40)38-22-29-30(35)15-9-16-31(29)36/h3-17,21,37H,2,18-20,22H2,1H3,(H,38,40).

What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide?

N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide has a molecular weight of 551.64 g/mol, XLogP of 7.14, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-difluorophenyl)methyl]-2-[2-[2-(1H-indol-3-yl)ethyl-propylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 152655890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).