(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone

C15H8BrClFNO — CID 107998254

IUPAC(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H8BrClFNO/c16-9-2-4-14-10(6-9)11(7-19-14)15(20)8-1-3-12(17)13(18)5-8/h1-7,19H
InChIKeyOXMVMYUNRBABNK-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.95
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone

(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone (PubChem CID 107998254) has the molecular formula C15H8BrClFNO and a molecular weight of 352.59 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
PubChem CID107998254
Molecular FormulaC15H8BrClFNO
Molecular Weight352.59 g/mol
Exact Mass350.95
IUPAC Name(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H8BrClFNO/c16-9-2-4-14-10(6-9)11(7-19-14)15(20)8-1-3-12(17)13(18)5-8/h1-7,19H
InChIKeyOXMVMYUNRBABNK-UHFFFAOYSA-N
XLogP4.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(5-bromo-1H-indol-3-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278577
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone (CID 107998254) is (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone is O=C(c1ccc(Cl)c(F)c1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone?
The InChIKey is OXMVMYUNRBABNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO/c16-9-2-4-14-10(6-9)11(7-19-14)15(20)8-1-3-12(17)13(18)5-8/h1-7,19H.
What are the key properties of (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone?
(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone has a molecular weight of 352.59 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 107998254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).