6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide

C17H13BrN2O3 — CID 4234828

IUPAC6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H13BrN2O3/c1-22-15-5-3-2-4-13(15)20-17(21)12-9-10-8-11(18)6-7-14(10)23-16(12)19/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyYUTUSQMCWYTYJU-MNDPQUGUSA-N
MW373.21 g/mol
LogP3.94
Rot. Bonds3

About 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide

6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide (PubChem CID 4234828) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
PubChem CID4234828
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H13BrN2O3/c1-22-15-5-3-2-4-13(15)20-17(21)12-9-10-8-11(18)6-7-14(10)23-16(12)19/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyYUTUSQMCWYTYJU-MNDPQUGUSA-N
XLogP3.94
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide (CID 4234828) is 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1ccccc1OC.
What is the InChIKey of 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is YUTUSQMCWYTYJU-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-22-15-5-3-2-4-13(15)20-17(21)12-9-10-8-11(18)6-7-14(10)23-16(12)19/h2-9,19H,1H3,(H,20,21)/b19-16-.
What are the key properties of 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 4234828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).