3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one

C17H13ClFNO — CID 58125929

IUPAC3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H13ClFNO/c18-13-3-1-2-11(8-13)4-7-17(21)16-10-12-9-14(19)5-6-15(12)20-16/h1-3,5-6,8-10,20H,4,7H2
InChIKeyUCNBPZTVIYNNSE-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.78
Rot. Bonds4

About 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one

3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one (PubChem CID 58125929) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
PubChem CID58125929
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H13ClFNO/c18-13-3-1-2-11(8-13)4-7-17(21)16-10-12-9-14(19)5-6-15(12)20-16/h1-3,5-6,8-10,20H,4,7H2
InChIKeyUCNBPZTVIYNNSE-UHFFFAOYSA-N
XLogP4.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125888
2-chloro-1-(5-fluoro-1H-indol-2-yl)ethanone
CID 45081081
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871
1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one
CID 58125913
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125958
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
1-(5-chloro-1H-indol-2-yl)heptan-1-one
CID 66777278

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one (CID 58125929) is 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one is O=C(CCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The InChIKey is UCNBPZTVIYNNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-13-3-1-2-11(8-13)4-7-17(21)16-10-12-9-14(19)5-6-15(12)20-16/h1-3,5-6,8-10,20H,4,7H2.
What are the key properties of 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one has a molecular weight of 301.75 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 58125929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).