4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide

C20H18FN3O — CID 25173241

IUPAC4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H18FN3O/c1-12-3-8-17(21)19-18(12)16(13(2)24-19)9-10-23-20(25)15-6-4-14(11-22)5-7-15/h3-8,24H,9-10H2,1-2H3,(H,23,25)
InChIKeyLOQBVRHYBTXXDD-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.77
Rot. Bonds4

About 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide

4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 25173241) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID25173241
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H18FN3O/c1-12-3-8-17(21)19-18(12)16(13(2)24-19)9-10-23-20(25)15-6-4-14(11-22)5-7-15/h3-8,24H,9-10H2,1-2H3,(H,23,25)
InChIKeyLOQBVRHYBTXXDD-UHFFFAOYSA-N
XLogP3.77
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide (CID 25173241) is 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is LOQBVRHYBTXXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-12-3-8-17(21)19-18(12)16(13(2)24-19)9-10-23-20(25)15-6-4-14(11-22)5-7-15/h3-8,24H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide?
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 25173241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).