5-bromo-2-(2-oxochromen-3-yl)benzamide

C16H10BrNO3 — CID 91688734

IUPAC5-bromo-2-(2-oxochromen-3-yl)benzamide
SMILESNC(=O)c1cc(Br)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10BrNO3/c17-10-5-6-11(12(8-10)15(18)19)13-7-9-3-1-2-4-14(9)21-16(13)20/h1-8H,(H2,18,19)
InChIKeyCECOEIRICYRFFQ-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-2-(2-oxochromen-3-yl)benzamide

5-bromo-2-(2-oxochromen-3-yl)benzamide (PubChem CID 91688734) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-bromo-2-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-oxochromen-3-yl)benzamide
PubChem CID91688734
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name5-bromo-2-(2-oxochromen-3-yl)benzamide
SMILESNC(=O)c1cc(Br)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10BrNO3/c17-10-5-6-11(12(8-10)15(18)19)13-7-9-3-1-2-4-14(9)21-16(13)20/h1-8H,(H2,18,19)
InChIKeyCECOEIRICYRFFQ-UHFFFAOYSA-N
XLogP3.32
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-(2-oxochromen-3-yl)benzamide
CID 91688749
3,5-dibromo-2-(2-oxochromen-3-yl)benzoic acid
CID 91688743
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
CID 56708499
5-bromo-2-chloro-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 2202133
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
CID 114032573
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
2-oxochromene-3-carboxylic acid
CID 161011590
3-phenylchromen-2-one;hydrochloride
CID 141206894
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931
4-(2-oxochromen-3-yl)benzoate
CID 4249737

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-oxochromen-3-yl)benzamide?
The IUPAC name of 5-bromo-2-(2-oxochromen-3-yl)benzamide (CID 91688734) is 5-bromo-2-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-(2-oxochromen-3-yl)benzamide is NC(=O)c1cc(Br)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 5-bromo-2-(2-oxochromen-3-yl)benzamide?
The InChIKey is CECOEIRICYRFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-10-5-6-11(12(8-10)15(18)19)13-7-9-3-1-2-4-14(9)21-16(13)20/h1-8H,(H2,18,19).
What are the key properties of 5-bromo-2-(2-oxochromen-3-yl)benzamide?
5-bromo-2-(2-oxochromen-3-yl)benzamide has a molecular weight of 344.16 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 91688734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).