(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

C15H7BrCl3NO — CID 107998441

IUPAC(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H7BrCl3NO/c16-10-3-7(1-2-11(10)18)15(21)9-6-20-13-5-8(17)4-12(19)14(9)13/h1-6,20H
InChIKeyDLNUIRSHBGRGSU-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.12
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (PubChem CID 107998441) has the molecular formula C15H7BrCl3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
PubChem CID107998441
Molecular FormulaC15H7BrCl3NO
Molecular Weight403.49 g/mol
Exact Mass400.88
IUPAC Name(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H7BrCl3NO/c16-10-3-7(1-2-11(10)18)15(21)9-6-20-13-5-8(17)4-12(19)14(9)13/h1-6,20H
InChIKeyDLNUIRSHBGRGSU-UHFFFAOYSA-N
XLogP6.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 107998426
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (CID 107998441) is (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is O=C(c1ccc(Cl)c(Br)c1)c1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The InChIKey is DLNUIRSHBGRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl3NO/c16-10-3-7(1-2-11(10)18)15(21)9-6-20-13-5-8(17)4-12(19)14(9)13/h1-6,20H.
What are the key properties of (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107998441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).