(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

C15H10Cl2N2O — CID 103428591

IUPAC(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESNc1ccc(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-9-5-12(17)14-11(7-19-13(14)6-9)15(20)8-1-3-10(18)4-2-8/h1-7,19H,18H2
InChIKeyXTKIROPKTNKJOH-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.29
Rot. Bonds2

About (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (PubChem CID 103428591) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
PubChem CID103428591
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESNc1ccc(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-9-5-12(17)14-11(7-19-13(14)6-9)15(20)8-1-3-10(18)4-2-8/h1-7,19H,18H2
InChIKeyXTKIROPKTNKJOH-UHFFFAOYSA-N
XLogP4.29
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (CID 103428591) is (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is Nc1ccc(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)cc1.
What is the InChIKey of (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The InChIKey is XTKIROPKTNKJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-9-5-12(17)14-11(7-19-13(14)6-9)15(20)8-1-3-10(18)4-2-8/h1-7,19H,18H2.
What are the key properties of (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone has a molecular weight of 305.16 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).