(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone

C17H15ClN2O — CID 102707056

IUPAC(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
SMILESCc1cc(C)c(C(=O)c2c[nH]c3cccc(Cl)c23)cc1N
InChIInChI=1S/C17H15ClN2O/c1-9-6-10(2)14(19)7-11(9)17(21)12-8-20-15-5-3-4-13(18)16(12)15/h3-8,20H,19H2,1-2H3
InChIKeyWXZASZMIHUJFMF-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.25
Rot. Bonds2

About (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone

(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone (PubChem CID 102707056) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
PubChem CID102707056
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
SMILESCc1cc(C)c(C(=O)c2c[nH]c3cccc(Cl)c23)cc1N
InChIInChI=1S/C17H15ClN2O/c1-9-6-10(2)14(19)7-11(9)17(21)12-8-20-15-5-3-4-13(18)16(12)15/h3-8,20H,19H2,1-2H3
InChIKeyWXZASZMIHUJFMF-UHFFFAOYSA-N
XLogP4.25
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.25
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-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone (CID 102707056) is (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone is Cc1cc(C)c(C(=O)c2c[nH]c3cccc(Cl)c23)cc1N.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone?
The InChIKey is WXZASZMIHUJFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-9-6-10(2)14(19)7-11(9)17(21)12-8-20-15-5-3-4-13(18)16(12)15/h3-8,20H,19H2,1-2H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone?
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone has a molecular weight of 298.77 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 102707056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).