2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline

C16H11Cl3N2O — CID 4552518

IUPAC2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline
SMILESClc1cc(Cl)c(NN=CC2=Cc3ccccc3OC2)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2O/c17-12-6-13(18)16(14(19)7-12)21-20-8-10-5-11-3-1-2-4-15(11)22-9-10/h1-8,21H,9H2
InChIKeyVIKTXZRGNJICFK-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.52
Rot. Bonds3

About 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline

2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline (PubChem CID 4552518) has the molecular formula C16H11Cl3N2O and a molecular weight of 353.64 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline
PubChem CID4552518
Molecular FormulaC16H11Cl3N2O
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline
SMILESClc1cc(Cl)c(NN=CC2=Cc3ccccc3OC2)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2O/c17-12-6-13(18)16(14(19)7-12)21-20-8-10-5-11-3-1-2-4-15(11)22-9-10/h1-8,21H,9H2
InChIKeyVIKTXZRGNJICFK-UHFFFAOYSA-N
XLogP5.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2H-chromen-3-ylmethylideneamino)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline (CID 4552518) is 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline is Clc1cc(Cl)c(NN=CC2=Cc3ccccc3OC2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline?
The InChIKey is VIKTXZRGNJICFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O/c17-12-6-13(18)16(14(19)7-12)21-20-8-10-5-11-3-1-2-4-15(11)22-9-10/h1-8,21H,9H2.
What are the key properties of 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline?
2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline has a molecular weight of 353.64 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2H-chromen-3-ylmethylideneamino)aniline is sourced from PubChem (CID 4552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).