2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide

C16H10F2N2O3 — CID 135631702

IUPAC2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C16H10F2N2O3/c17-9-2-4-13(12(18)6-9)20-16-11(15(19)22)5-8-1-3-10(21)7-14(8)23-16/h1-7,21H,(H2,19,22)/b20-16-
InChIKeyXPFUJQYMUBPSCK-SILNSSARSA-N
MW316.26 g/mol
LogP2.75
Rot. Bonds2

About 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide

2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide (PubChem CID 135631702) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide
PubChem CID135631702
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C16H10F2N2O3/c17-9-2-4-13(12(18)6-9)20-16-11(15(19)22)5-8-1-3-10(21)7-14(8)23-16/h1-7,21H,(H2,19,22)/b20-16-
InChIKeyXPFUJQYMUBPSCK-SILNSSARSA-N
XLogP2.75
TPSA88.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide (CID 135631702) is 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide is NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide?
The InChIKey is XPFUJQYMUBPSCK-SILNSSARSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c17-9-2-4-13(12(18)6-9)20-16-11(15(19)22)5-8-1-3-10(21)7-14(8)23-16/h1-7,21H,(H2,19,22)/b20-16-.
What are the key properties of 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide?
2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 135631702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).