6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide

C16H8Cl4N2O2 — CID 17387305

IUPAC6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H8Cl4N2O2/c17-8-1-2-13(11(19)5-8)22-16-10(15(21)23)4-7-3-9(18)6-12(20)14(7)24-16/h1-6H,(H2,21,23)/b22-16-
InChIKeyLTNVEODZGGVXCG-JWGURIENSA-N
MW402.06 g/mol
LogP5.38
Rot. Bonds2

About 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide

6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide (PubChem CID 17387305) has the molecular formula C16H8Cl4N2O2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide
PubChem CID17387305
Molecular FormulaC16H8Cl4N2O2
Molecular Weight402.06 g/mol
Exact Mass399.93
IUPAC Name6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H8Cl4N2O2/c17-8-1-2-13(11(19)5-8)22-16-10(15(21)23)4-7-3-9(18)6-12(20)14(7)24-16/h1-6H,(H2,21,23)/b22-16-
InChIKeyLTNVEODZGGVXCG-JWGURIENSA-N
XLogP5.38
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide (CID 17387305) is 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Cl)cc1Cl.
What is the InChIKey of 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide?
The InChIKey is LTNVEODZGGVXCG-JWGURIENSA-N. The full InChI is InChI=1S/C16H8Cl4N2O2/c17-8-1-2-13(11(19)5-8)22-16-10(15(21)23)4-7-3-9(18)6-12(20)14(7)24-16/h1-6H,(H2,21,23)/b22-16-.
What are the key properties of 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide?
6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide has a molecular weight of 402.06 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(2,4-dichlorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 17387305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).