6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide

C16H10ClFN2O2 — CID 4667057

IUPAC6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C16H10ClFN2O2/c17-10-1-6-14-9(7-10)8-13(15(19)21)16(22-14)20-12-4-2-11(18)3-5-12/h1-8H,(H2,19,21)/b20-16-
InChIKeyLLOBIYSZOPFFII-SILNSSARSA-N
MW316.72 g/mol
LogP3.56
Rot. Bonds2

About 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide

6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide (PubChem CID 4667057) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide
PubChem CID4667057
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C16H10ClFN2O2/c17-10-1-6-14-9(7-10)8-13(15(19)21)16(22-14)20-12-4-2-11(18)3-5-12/h1-8H,(H2,19,21)/b20-16-
InChIKeyLLOBIYSZOPFFII-SILNSSARSA-N
XLogP3.56
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide (CID 4667057) is 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
The InChIKey is LLOBIYSZOPFFII-SILNSSARSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-10-1-6-14-9(7-10)8-13(15(19)21)16(22-14)20-12-4-2-11(18)3-5-12/h1-8H,(H2,19,21)/b20-16-.
What are the key properties of 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide?
6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide has a molecular weight of 316.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4667057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).