3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide

C23H27FN4O — CID 71144608

IUPAC3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C23H27FN4O/c1-17-15-18-5-3-4-6-21(18)28(17)10-9-25-23(29)19-7-8-22(20(24)16-19)27-13-11-26(2)12-14-27/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)
InChIKeyBVZKEHBBWRYNMT-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.27
Rot. Bonds5

About 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide

3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 71144608) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID71144608
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C23H27FN4O/c1-17-15-18-5-3-4-6-21(18)28(17)10-9-25-23(29)19-7-8-22(20(24)16-19)27-13-11-26(2)12-14-27/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)
InChIKeyBVZKEHBBWRYNMT-UHFFFAOYSA-N
XLogP3.27
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 71144608) is 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is BVZKEHBBWRYNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17-15-18-5-3-4-6-21(18)28(17)10-9-25-23(29)19-7-8-22(20(24)16-19)27-13-11-26(2)12-14-27/h3-8,15-16H,9-14H2,1-2H3,(H,25,29).
What are the key properties of 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 394.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 71144608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).