3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide

C20H12F2N2O2 — CID 3500872

IUPAC3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESNC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cc(F)ccc1F
InChIInChI=1S/C20H12F2N2O2/c21-12-6-7-16(22)17(9-12)24-20-15(19(23)25)10-14-13-4-2-1-3-11(13)5-8-18(14)26-20/h1-10H,(H2,23,25)/b24-20-
InChIKeyCZQJDBUTEQLEPP-GFMRDNFCSA-N
MW350.32 g/mol
LogP4.20
Rot. Bonds2

About 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide

3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide (PubChem CID 3500872) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
PubChem CID3500872
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESNC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cc(F)ccc1F
InChIInChI=1S/C20H12F2N2O2/c21-12-6-7-16(22)17(9-12)24-20-15(19(23)25)10-14-13-4-2-1-3-11(13)5-8-18(14)26-20/h1-10H,(H2,23,25)/b24-20-
InChIKeyCZQJDBUTEQLEPP-GFMRDNFCSA-N
XLogP4.20
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide (CID 3500872) is 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide is NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The InChIKey is CZQJDBUTEQLEPP-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-12-6-7-16(22)17(9-12)24-20-15(19(23)25)10-14-13-4-2-1-3-11(13)5-8-18(14)26-20/h1-10H,(H2,23,25)/b24-20-.
What are the key properties of 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide has a molecular weight of 350.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 3500872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).