2-benzylimino-6-bromochromene-3-carboxamide

C17H13BrN2O2 — CID 3487564

IUPAC2-benzylimino-6-bromochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\Cc1ccccc1
InChIInChI=1S/C17H13BrN2O2/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-
InChIKeyIKIKNXLTKLGGSN-JZJYNLBNSA-N
MW357.21 g/mol
LogP3.40
Rot. Bonds3

About 2-benzylimino-6-bromochromene-3-carboxamide

2-benzylimino-6-bromochromene-3-carboxamide (PubChem CID 3487564) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-benzylimino-6-bromochromene-3-carboxamide.

Molecular Properties

Compound Name2-benzylimino-6-bromochromene-3-carboxamide
PubChem CID3487564
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name2-benzylimino-6-bromochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2o/c1=N\Cc1ccccc1
InChIInChI=1S/C17H13BrN2O2/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-
InChIKeyIKIKNXLTKLGGSN-JZJYNLBNSA-N
XLogP3.40
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-6-bromochromene-3-carboxamide?
The IUPAC name of 2-benzylimino-6-bromochromene-3-carboxamide (CID 3487564) is 2-benzylimino-6-bromochromene-3-carboxamide.
What is the SMILES notation for 2-benzylimino-6-bromochromene-3-carboxamide?
The canonical SMILES for 2-benzylimino-6-bromochromene-3-carboxamide is NC(=O)c1cc2cc(Br)ccc2o/c1=N\Cc1ccccc1.
What is the InChIKey of 2-benzylimino-6-bromochromene-3-carboxamide?
The InChIKey is IKIKNXLTKLGGSN-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H13BrN2O2/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-bromochromene-3-carboxamide?
2-benzylimino-6-bromochromene-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-6-bromochromene-3-carboxamide is sourced from PubChem (CID 3487564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).