(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

C16H12Cl2N2O — CID 103428580

IUPAC(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)c1
InChIInChI=1S/C16H12Cl2N2O/c1-8-2-3-13(19)10(4-8)16(21)11-7-20-14-6-9(17)5-12(18)15(11)14/h2-7,20H,19H2,1H3
InChIKeyBYSGFCWUNFHHIV-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.60
Rot. Bonds2

About (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone

(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (PubChem CID 103428580) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
PubChem CID103428580
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)c1
InChIInChI=1S/C16H12Cl2N2O/c1-8-2-3-13(19)10(4-8)16(21)11-7-20-14-6-9(17)5-12(18)15(11)14/h2-7,20H,19H2,1H3
InChIKeyBYSGFCWUNFHHIV-UHFFFAOYSA-N
XLogP4.60
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.60
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

(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (CID 103428580) is (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is Cc1ccc(N)c(C(=O)c2c[nH]c3cc(Cl)cc(Cl)c23)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The InChIKey is BYSGFCWUNFHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-8-2-3-13(19)10(4-8)16(21)11-7-20-14-6-9(17)5-12(18)15(11)14/h2-7,20H,19H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone has a molecular weight of 319.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103428580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).