N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

C26H23F2N3O3 — CID 27772937

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (PubChem CID 27772937) has the molecular formula C26H23F2N3O3 and a molecular weight of 463.48 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
• PubChem CID: 27772937
• Molecular Formula: C26H23F2N3O3
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.17
• IUPAC Name: N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
• SMILES: COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1
• InChI: InChI=1S/C26H23F2N3O3/c1-34-18-9-6-16(7-10-18)26-20(19-4-2-3-5-23(19)31-26)11-13-24(32)29-15-25(33)30-17-8-12-21(27)22(28)14-17/h2-10,12,14,31H,11,13,15H2,1H3,(H,29,32)(H,30,33)
• InChIKey: OQQFTSUAZUDWHI-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 83.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?

The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (CID 27772937) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.

What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?

The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1.

What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?

The InChIKey is OQQFTSUAZUDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3/c1-34-18-9-6-16(7-10-18)26-20(19-4-2-3-5-23(19)31-26)11-13-24(32)29-15-25(33)30-17-8-12-21(27)22(28)14-17/h2-10,12,14,31H,11,13,15H2,1H3,(H,29,32)(H,30,33).

What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide has a molecular weight of 463.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 27772937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).