4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide

C23H19FN2O2 — CID 46334542

IUPAC4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H19FN2O2/c1-2-28-20-10-5-16(6-11-20)23(27)25-19-8-3-15(4-9-19)22-14-17-13-18(24)7-12-21(17)26-22/h3-14,26H,2H2,1H3,(H,25,27)
InChIKeyNNDSMQRQXFNGOC-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.62
Rot. Bonds5

About 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide

4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide (PubChem CID 46334542) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
PubChem CID46334542
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H19FN2O2/c1-2-28-20-10-5-16(6-11-20)23(27)25-19-8-3-15(4-9-19)22-14-17-13-18(24)7-12-21(17)26-22/h3-14,26H,2H2,1H3,(H,25,27)
InChIKeyNNDSMQRQXFNGOC-UHFFFAOYSA-N
XLogP5.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide (CID 46334542) is 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide?
The InChIKey is NNDSMQRQXFNGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-2-28-20-10-5-16(6-11-20)23(27)25-19-8-3-15(4-9-19)22-14-17-13-18(24)7-12-21(17)26-22/h3-14,26H,2H2,1H3,(H,25,27).
What are the key properties of 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide?
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide has a molecular weight of 374.42 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide is sourced from PubChem (CID 46334542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).