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

C21H22FNO — CID 170857329

IUPAC(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone
SMILESCCCCC(C)n1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H22FNO/c1-3-4-9-15(2)23-14-18(16-10-6-8-13-20(16)23)21(24)17-11-5-7-12-19(17)22/h5-8,10-15H,3-4,9H2,1-2H3
InChIKeyBJUJQSRNIYJSRV-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.76
Rot. Bonds6

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

(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone (PubChem CID 170857329) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone
PubChem CID170857329
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone
SMILESCCCCC(C)n1cc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H22FNO/c1-3-4-9-15(2)23-14-18(16-10-6-8-13-20(16)23)21(24)17-11-5-7-12-19(17)22/h5-8,10-15H,3-4,9H2,1-2H3
InChIKeyBJUJQSRNIYJSRV-UHFFFAOYSA-N
XLogP5.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-hydroxybutan-2-yl)indol-3-yl]-phenylmethanone
CID 70526670
(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
CID 170857303
(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
CID 170857227
(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
CID 118142028
1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
CID 90033289
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
(2-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 14896529

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone (CID 170857329) is (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone is CCCCC(C)n1cc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone?
The InChIKey is BJUJQSRNIYJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-3-4-9-15(2)23-14-18(16-10-6-8-13-20(16)23)21(24)17-11-5-7-12-19(17)22/h5-8,10-15H,3-4,9H2,1-2H3.
What are the key properties of (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone?
(2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone has a molecular weight of 323.41 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-hexan-2-ylindol-3-yl)methanone is sourced from PubChem (CID 170857329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).