(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide

C18H15BrN2O3 — CID 45146908

IUPAC(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\O)c1C
InChIInChI=1S/C18H15BrN2O3/c1-10-4-3-5-15(11(10)2)20-17(22)14-9-12-8-13(19)6-7-16(12)24-18(14)21-23/h3-9,23H,1-2H3,(H,20,22)/b21-18-
InChIKeyPJKMNOZJKZWBQL-UZYVYHOESA-N
MW387.23 g/mol
LogP4.35
Rot. Bonds2

About (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide

(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide (PubChem CID 45146908) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide
PubChem CID45146908
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\O)c1C
InChIInChI=1S/C18H15BrN2O3/c1-10-4-3-5-15(11(10)2)20-17(22)14-9-12-8-13(19)6-7-16(12)24-18(14)21-23/h3-9,23H,1-2H3,(H,20,22)/b21-18-
InChIKeyPJKMNOZJKZWBQL-UZYVYHOESA-N
XLogP4.35
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 61090937
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
6-bromo-N-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenyl)iminochromene-3-carboxamide
CID 3964221
6-bromo-N-(4-iodo-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 19171684
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide?
The IUPAC name of (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide (CID 45146908) is (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide.
What is the SMILES notation for (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide?
The canonical SMILES for (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\O)c1C.
What is the InChIKey of (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide?
The InChIKey is PJKMNOZJKZWBQL-UZYVYHOESA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-10-4-3-5-15(11(10)2)20-17(22)14-9-12-8-13(19)6-7-16(12)24-18(14)21-23/h3-9,23H,1-2H3,(H,20,22)/b21-18-.
What are the key properties of (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide?
(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide is sourced from PubChem (CID 45146908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).