1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone

C23H19FN2O2 — CID 86728829

IUPAC1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3c(F)cccc23)c2ccccc2)c1
InChIInChI=1S/C23H19FN2O2/c1-28-17-10-5-9-16(13-17)26-21(15-7-3-2-4-8-15)23(27)19-14-25-22-18(19)11-6-12-20(22)24/h2-14,21,25-26H,1H3
InChIKeyKUOWOXBFGIZFIP-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.35
Rot. Bonds6

About 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone

1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone (PubChem CID 86728829) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone.

Molecular Properties

Compound Name1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
PubChem CID86728829
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3c(F)cccc23)c2ccccc2)c1
InChIInChI=1S/C23H19FN2O2/c1-28-17-10-5-9-16(13-17)26-21(15-7-3-2-4-8-15)23(27)19-14-25-22-18(19)11-6-12-20(22)24/h2-14,21,25-26H,1H3
InChIKeyKUOWOXBFGIZFIP-UHFFFAOYSA-N
XLogP5.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
CID 86272430
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methoxy-3-pyridinyl)ethanone
CID 86728843
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
N-[5-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]-2-methoxyphenyl]methanesulfonamide
CID 55571935
2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
CID 86728775
2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
CID 175404541
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
The IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone (CID 86728829) is 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone.
What is the SMILES notation for 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
The canonical SMILES for 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone is COc1cccc(NC(C(=O)c2c[nH]c3c(F)cccc23)c2ccccc2)c1.
What is the InChIKey of 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
The InChIKey is KUOWOXBFGIZFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-28-17-10-5-9-16(13-17)26-21(15-7-3-2-4-8-15)23(27)19-14-25-22-18(19)11-6-12-20(22)24/h2-14,21,25-26H,1H3.
What are the key properties of 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone?
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone has a molecular weight of 374.42 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone is sourced from PubChem (CID 86728829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).