(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone

C18H16BrNO — CID 43340394

IUPAC(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C18H16BrNO/c1-11(2)12-3-5-13(6-4-12)18(21)16-10-20-17-8-7-14(19)9-15(16)17/h3-11,20H,1-2H3
InChIKeyIXUIZLFGFDFFDZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.28
Rot. Bonds3

About (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone

(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 43340394) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID43340394
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C18H16BrNO/c1-11(2)12-3-5-13(6-4-12)18(21)16-10-20-17-8-7-14(19)9-15(16)17/h3-11,20H,1-2H3
InChIKeyIXUIZLFGFDFFDZ-UHFFFAOYSA-N
XLogP5.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.24
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107998254
(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
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone (CID 43340394) is (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is IXUIZLFGFDFFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-11(2)12-3-5-13(6-4-12)18(21)16-10-20-17-8-7-14(19)9-15(16)17/h3-11,20H,1-2H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone?
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 342.24 g/mol, XLogP of 5.28, 3 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-propan-2-ylphenyl)methanone is sourced from PubChem (CID 43340394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).