1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone

C23H19FN2O — CID 71505479

IUPAC1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone
SMILESCc1cccc(NC(C(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H19FN2O/c1-15-5-4-6-18(13-15)26-22(23(27)16-9-11-17(24)12-10-16)20-14-25-21-8-3-2-7-19(20)21/h2-14,22,25-26H,1H3
InChIKeyLSDCYTUDWQUUDJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.65
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone

1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone (PubChem CID 71505479) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone
PubChem CID71505479
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone
SMILESCc1cccc(NC(C(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H19FN2O/c1-15-5-4-6-18(13-15)26-22(23(27)16-9-11-17(24)12-10-16)20-14-25-21-8-3-2-7-19(20)21/h2-14,22,25-26H,1H3
InChIKeyLSDCYTUDWQUUDJ-UHFFFAOYSA-N
XLogP5.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone (CID 71505479) is 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone is Cc1cccc(NC(C(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone?
The InChIKey is LSDCYTUDWQUUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-15-5-4-6-18(13-15)26-22(23(27)16-9-11-17(24)12-10-16)20-14-25-21-8-3-2-7-19(20)21/h2-14,22,25-26H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone?
1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone has a molecular weight of 358.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1H-indol-3-yl)-2-(3-methylanilino)ethanone is sourced from PubChem (CID 71505479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).