(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone

C17H14ClNO — CID 103474439

IUPAC(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2c[nH]c3c(Cl)cccc23)c1
InChIInChI=1S/C17H14ClNO/c1-10-6-7-11(2)13(8-10)17(20)14-9-19-16-12(14)4-3-5-15(16)18/h3-9,19H,1-2H3
InChIKeyJSCOBWSMLVPXIV-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.67
Rot. Bonds2

About (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone

(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 103474439) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
PubChem CID103474439
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2c[nH]c3c(Cl)cccc23)c1
InChIInChI=1S/C17H14ClNO/c1-10-6-7-11(2)13(8-10)17(20)14-9-19-16-12(14)4-3-5-15(16)18/h3-9,19H,1-2H3
InChIKeyJSCOBWSMLVPXIV-UHFFFAOYSA-N
XLogP4.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103474352

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone (CID 103474439) is (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2c[nH]c3c(Cl)cccc23)c1.
What is the InChIKey of (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is JSCOBWSMLVPXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-10-6-7-11(2)13(8-10)17(20)14-9-19-16-12(14)4-3-5-15(16)18/h3-9,19H,1-2H3.
What are the key properties of (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone?
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 283.76 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 103474439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).