N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide

C29H27F2N3O2 — CID 4131063

About N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide

N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4131063) has the molecular formula C29H27F2N3O2 and a molecular weight of 487.55 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 4131063
• Molecular Formula: C29H27F2N3O2
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.21
• IUPAC Name: N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
• SMILES: O=C(CN(C(=O)c1ccc(F)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1
• InChI: InChI=1S/C29H27F2N3O2/c30-23-9-5-20(6-10-23)18-33(16-15-22-17-32-27-4-2-1-3-26(22)27)28(35)19-34(25-13-14-25)29(36)21-7-11-24(31)12-8-21/h1-12,17,25,32H,13-16,18-19H2
• InChIKey: IEIZLVRGOMXWPW-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide (CID 4131063) is N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide is O=C(CN(C(=O)c1ccc(F)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1.

What is the InChIKey of N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide?

The InChIKey is IEIZLVRGOMXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O2/c30-23-9-5-20(6-10-23)18-33(16-15-22-17-32-27-4-2-1-3-26(22)27)28(35)19-34(25-13-14-25)29(36)21-7-11-24(31)12-8-21/h1-12,17,25,32H,13-16,18-19H2.

What are the key properties of N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide?

N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 487.55 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).