2-benzylimino-7-hydroxychromene-3-carboxamide

C17H14N2O3 — CID 135399314

IUPAC2-benzylimino-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\Cc1ccccc1
InChIInChI=1S/C17H14N2O3/c18-16(21)14-8-12-6-7-13(20)9-15(12)22-17(14)19-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,18,21)/b19-17-
InChIKeyJNEUHMVWSPIIEB-ZPHPHTNESA-N
MW294.31 g/mol
LogP2.34
Rot. Bonds3

About 2-benzylimino-7-hydroxychromene-3-carboxamide

2-benzylimino-7-hydroxychromene-3-carboxamide (PubChem CID 135399314) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-benzylimino-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name2-benzylimino-7-hydroxychromene-3-carboxamide
PubChem CID135399314
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-benzylimino-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\Cc1ccccc1
InChIInChI=1S/C17H14N2O3/c18-16(21)14-8-12-6-7-13(20)9-15(12)22-17(14)19-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,18,21)/b19-17-
InChIKeyJNEUHMVWSPIIEB-ZPHPHTNESA-N
XLogP2.34
TPSA88.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-7-hydroxychromene-3-carboxamide?
The IUPAC name of 2-benzylimino-7-hydroxychromene-3-carboxamide (CID 135399314) is 2-benzylimino-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for 2-benzylimino-7-hydroxychromene-3-carboxamide?
The canonical SMILES for 2-benzylimino-7-hydroxychromene-3-carboxamide is NC(=O)c1cc2ccc(O)cc2o/c1=N\Cc1ccccc1.
What is the InChIKey of 2-benzylimino-7-hydroxychromene-3-carboxamide?
The InChIKey is JNEUHMVWSPIIEB-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14N2O3/c18-16(21)14-8-12-6-7-13(20)9-15(12)22-17(14)19-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H2,18,21)/b19-17-.
What are the key properties of 2-benzylimino-7-hydroxychromene-3-carboxamide?
2-benzylimino-7-hydroxychromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 135399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).