6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide

C16H9Cl2FN2O2 — CID 3687175

IUPAC6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C16H9Cl2FN2O2/c17-9-4-8-5-12(15(20)22)16(23-14(8)13(18)6-9)21-11-3-1-2-10(19)7-11/h1-7H,(H2,20,22)/b21-16-
InChIKeyAHDJXZCYOAPYDB-PGMHBOJBSA-N
MW351.16 g/mol
LogP4.21
Rot. Bonds2

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

6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide (PubChem CID 3687175) has the molecular formula C16H9Cl2FN2O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide
PubChem CID3687175
Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C16H9Cl2FN2O2/c17-9-4-8-5-12(15(20)22)16(23-14(8)13(18)6-9)21-11-3-1-2-10(19)7-11/h1-7H,(H2,20,22)/b21-16-
InChIKeyAHDJXZCYOAPYDB-PGMHBOJBSA-N
XLogP4.21
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.21
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-(3-fluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide (CID 3687175) is 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1.
What is the InChIKey of 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide?
The InChIKey is AHDJXZCYOAPYDB-PGMHBOJBSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O2/c17-9-4-8-5-12(15(20)22)16(23-14(8)13(18)6-9)21-11-3-1-2-10(19)7-11/h1-7H,(H2,20,22)/b21-16-.
What are the key properties of 6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide?
6,8-dichloro-2-(3-fluorophenyl)iminochromene-3-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 4.21, 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-(3-fluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3687175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).