(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone

C19H18FNO — CID 170857227

IUPAC(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
SMILESCCC(C)n1cc(C(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FNO/c1-3-13(2)21-12-17(16-9-4-5-10-18(16)21)19(22)14-7-6-8-15(20)11-14/h4-13H,3H2,1-2H3
InChIKeyUNSPDGQNZPKABR-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.98
Rot. Bonds4

About (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone

(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone (PubChem CID 170857227) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
PubChem CID170857227
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
SMILESCCC(C)n1cc(C(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FNO/c1-3-13(2)21-12-17(16-9-4-5-10-18(16)21)19(22)14-7-6-8-15(20)11-14/h4-13H,3H2,1-2H3
InChIKeyUNSPDGQNZPKABR-UHFFFAOYSA-N
XLogP4.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
CID 170857303
[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
CID 70526670
(E)-3-[1-[(2R)-butan-2-yl]indol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396686
(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone
CID 170857329
2-[(5E)-5-[[1-[(2S)-butan-2-yl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-fluorophenyl)acetamide
CID 126248908
1-butan-2-yl-3-(trifluoromethyl)indole
CID 171833339
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
CID 150635589
2-amino-3-(1-butan-2-ylindol-3-yl)propanoic acid
CID 170879782
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone (CID 170857227) is (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone is CCC(C)n1cc(C(=O)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone?
The InChIKey is UNSPDGQNZPKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-3-13(2)21-12-17(16-9-4-5-10-18(16)21)19(22)14-7-6-8-15(20)11-14/h4-13H,3H2,1-2H3.
What are the key properties of (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone?
(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone has a molecular weight of 295.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 170857227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).