2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline

C18H16Cl3N3O — CID 3845942

IUPAC2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline
SMILESCOc1ccc2c(c1)c(C=NNc1c(Cl)cc(Cl)cc1Cl)c(C)n2C
InChIInChI=1S/C18H16Cl3N3O/c1-10-14(13-8-12(25-3)4-5-17(13)24(10)2)9-22-23-18-15(20)6-11(19)7-16(18)21/h4-9,23H,1-3H3
InChIKeyFWCJWAQJTKRFTC-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.90
Rot. Bonds4

About 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline

2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline (PubChem CID 3845942) has the molecular formula C18H16Cl3N3O and a molecular weight of 396.71 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline
PubChem CID3845942
Molecular FormulaC18H16Cl3N3O
Molecular Weight396.71 g/mol
Exact Mass395.04
IUPAC Name2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline
SMILESCOc1ccc2c(c1)c(C=NNc1c(Cl)cc(Cl)cc1Cl)c(C)n2C
InChIInChI=1S/C18H16Cl3N3O/c1-10-14(13-8-12(25-3)4-5-17(13)24(10)2)9-22-23-18-15(20)6-11(19)7-16(18)21/h4-9,23H,1-3H3
InChIKeyFWCJWAQJTKRFTC-UHFFFAOYSA-N
XLogP5.90
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline (CID 3845942) is 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline is COc1ccc2c(c1)c(C=NNc1c(Cl)cc(Cl)cc1Cl)c(C)n2C.
What is the InChIKey of 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline?
The InChIKey is FWCJWAQJTKRFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O/c1-10-14(13-8-12(25-3)4-5-17(13)24(10)2)9-22-23-18-15(20)6-11(19)7-16(18)21/h4-9,23H,1-3H3.
What are the key properties of 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline?
2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline has a molecular weight of 396.71 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 3845942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).