(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone

C15H8Cl3NO — CID 63877670

IUPAC(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl3NO/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
InChIKeyXZQSTROBQHECRJ-UHFFFAOYSA-N
MW324.59 g/mol
LogP5.36
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone

(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 63877670) has the molecular formula C15H8Cl3NO and a molecular weight of 324.59 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
PubChem CID63877670
Molecular FormulaC15H8Cl3NO
Molecular Weight324.59 g/mol
Exact Mass322.97
IUPAC Name(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl3NO/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
InChIKeyXZQSTROBQHECRJ-UHFFFAOYSA-N
XLogP5.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107998254
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685663
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone (CID 63877670) is (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is XZQSTROBQHECRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO/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-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 324.59 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 63877670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).