6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide

C16H9BrF2N2O2 — CID 3654810

IUPAC6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C16H9BrF2N2O2/c17-9-1-4-14-8(5-9)6-11(15(20)22)16(23-14)21-13-3-2-10(18)7-12(13)19/h1-7H,(H2,20,22)/b21-16-
InChIKeyIIIIFXKQMCGJRB-PGMHBOJBSA-N
MW379.16 g/mol
LogP3.80
Rot. Bonds2

About 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide

6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide (PubChem CID 3654810) has the molecular formula C16H9BrF2N2O2 and a molecular weight of 379.16 g/mol. Its IUPAC name is 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide
PubChem CID3654810
Molecular FormulaC16H9BrF2N2O2
Molecular Weight379.16 g/mol
Exact Mass377.98
IUPAC Name6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C16H9BrF2N2O2/c17-9-1-4-14-8(5-9)6-11(15(20)22)16(23-14)21-13-3-2-10(18)7-12(13)19/h1-7H,(H2,20,22)/b21-16-
InChIKeyIIIIFXKQMCGJRB-PGMHBOJBSA-N
XLogP3.80
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide (CID 3654810) is 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide is NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1F.
What is the InChIKey of 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
The InChIKey is IIIIFXKQMCGJRB-PGMHBOJBSA-N. The full InChI is InChI=1S/C16H9BrF2N2O2/c17-9-1-4-14-8(5-9)6-11(15(20)22)16(23-14)21-13-3-2-10(18)7-12(13)19/h1-7H,(H2,20,22)/b21-16-.
What are the key properties of 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide?
6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide has a molecular weight of 379.16 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4-difluorophenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3654810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).