(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

C15H9Cl3N2O — CID 103428602

IUPAC(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H9Cl3N2O/c16-7-4-11(18)13-9(6-20-12(13)5-7)15(21)8-2-1-3-10(17)14(8)19/h1-6,20H,19H2
InChIKeyVHKJBYLMFCHCNA-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.94
Rot. Bonds2

About (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (PubChem CID 103428602) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
PubChem CID103428602
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC Name(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H9Cl3N2O/c16-7-4-11(18)13-9(6-20-12(13)5-7)15(21)8-2-1-3-10(17)14(8)19/h1-6,20H,19H2
InChIKeyVHKJBYLMFCHCNA-UHFFFAOYSA-N
XLogP4.94
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(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
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 103427955
(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (CID 103428602) is (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is Nc1c(Cl)cccc1C(=O)c1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The InChIKey is VHKJBYLMFCHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c16-7-4-11(18)13-9(6-20-12(13)5-7)15(21)8-2-1-3-10(17)14(8)19/h1-6,20H,19H2.
What are the key properties of (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone has a molecular weight of 339.61 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103428602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).