2-benzylimino-6-chlorochromene-3-carboxamide

C17H13ClN2O2 — CID 748837

IUPAC2-benzylimino-6-chlorochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\Cc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-7-15-12(8-13)9-14(16(19)21)17(22-15)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,21)/b20-17-
InChIKeyQRYSPBSNKYBYJW-JZJYNLBNSA-N
MW312.76 g/mol
LogP3.29
Rot. Bonds3

About 2-benzylimino-6-chlorochromene-3-carboxamide

2-benzylimino-6-chlorochromene-3-carboxamide (PubChem CID 748837) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-benzylimino-6-chlorochromene-3-carboxamide.

Molecular Properties

Compound Name2-benzylimino-6-chlorochromene-3-carboxamide
PubChem CID748837
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-benzylimino-6-chlorochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\Cc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-7-15-12(8-13)9-14(16(19)21)17(22-15)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,21)/b20-17-
InChIKeyQRYSPBSNKYBYJW-JZJYNLBNSA-N
XLogP3.29
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-6-chlorochromene-3-carboxamide?
The IUPAC name of 2-benzylimino-6-chlorochromene-3-carboxamide (CID 748837) is 2-benzylimino-6-chlorochromene-3-carboxamide.
What is the SMILES notation for 2-benzylimino-6-chlorochromene-3-carboxamide?
The canonical SMILES for 2-benzylimino-6-chlorochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)ccc2o/c1=N\Cc1ccccc1.
What is the InChIKey of 2-benzylimino-6-chlorochromene-3-carboxamide?
The InChIKey is QRYSPBSNKYBYJW-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-6-7-15-12(8-13)9-14(16(19)21)17(22-15)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,21)/b20-17-.
What are the key properties of 2-benzylimino-6-chlorochromene-3-carboxamide?
2-benzylimino-6-chlorochromene-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-6-chlorochromene-3-carboxamide is sourced from PubChem (CID 748837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).