(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone

C16H11Cl2NO — CID 63555332

IUPAC(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C16H11Cl2NO/c1-9-2-5-15-11(6-9)13(8-19-15)16(20)12-7-10(17)3-4-14(12)18/h2-8,19H,1H3
InChIKeyKRZJDJFMABJZPJ-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.01
Rot. Bonds2

About (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone

(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 63555332) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID63555332
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C16H11Cl2NO/c1-9-2-5-15-11(6-9)13(8-19-15)16(20)12-7-10(17)3-4-14(12)18/h2-8,19H,1H3
InChIKeyKRZJDJFMABJZPJ-UHFFFAOYSA-N
XLogP5.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 63555332) is (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3cc(Cl)ccc3Cl)c2c1.
What is the InChIKey of (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is KRZJDJFMABJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-9-2-5-15-11(6-9)13(8-19-15)16(20)12-7-10(17)3-4-14(12)18/h2-8,19H,1H3.
What are the key properties of (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone has a molecular weight of 304.18 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 63555332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).