(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone

C17H15ClN2O — CID 116547144

IUPAC(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(N)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C17H15ClN2O/c1-10-3-5-12-13(9-20(2)16(12)7-10)17(21)11-4-6-15(19)14(18)8-11/h3-9H,19H2,1-2H3
InChIKeyJLMQSKSROPXXJN-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.95
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone

(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116547144) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116547144
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(N)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C17H15ClN2O/c1-10-3-5-12-13(9-20(2)16(12)7-10)17(21)11-4-6-15(19)14(18)8-11/h3-9H,19H2,1-2H3
InChIKeyJLMQSKSROPXXJN-UHFFFAOYSA-N
XLogP3.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116547144) is (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(N)c(Cl)c3)cn(C)c2c1.
What is the InChIKey of (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is JLMQSKSROPXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-3-5-12-13(9-20(2)16(12)7-10)17(21)11-4-6-15(19)14(18)8-11/h3-9H,19H2,1-2H3.
What are the key properties of (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone has a molecular weight of 298.77 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116547144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).