2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone

C17H14ClNO — CID 63555315

IUPAC2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H14ClNO/c1-11-2-7-16-14(8-11)15(10-19-16)17(20)9-12-3-5-13(18)6-4-12/h2-8,10,19H,9H2,1H3
InChIKeyQZVHMWACZSMHOW-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone

2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone (PubChem CID 63555315) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
PubChem CID63555315
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H14ClNO/c1-11-2-7-16-14(8-11)15(10-19-16)17(20)9-12-3-5-13(18)6-4-12/h2-8,10,19H,9H2,1H3
InChIKeyQZVHMWACZSMHOW-UHFFFAOYSA-N
XLogP4.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
4-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 63554781
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone (CID 63555315) is 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone is Cc1ccc2[nH]cc(C(=O)Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone?
The InChIKey is QZVHMWACZSMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-2-7-16-14(8-11)15(10-19-16)17(20)9-12-3-5-13(18)6-4-12/h2-8,10,19H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone?
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone has a molecular weight of 283.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 63555315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).