2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide

C23H16BrNO4 — CID 18568849

IUPAC2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
SMILESCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1
InChIInChI=1S/C23H16BrNO4/c1-28-16-9-6-14(7-10-16)22-13-20(26)18-12-15(8-11-21(18)29-22)25-23(27)17-4-2-3-5-19(17)24/h2-13H,1H3,(H,25,27)
InChIKeyRNGABGHCVXMDAZ-UHFFFAOYSA-N
MW450.29 g/mol
LogP5.48
Rot. Bonds4

About 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide

2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide (PubChem CID 18568849) has the molecular formula C23H16BrNO4 and a molecular weight of 450.29 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
PubChem CID18568849
Molecular FormulaC23H16BrNO4
Molecular Weight450.29 g/mol
Exact Mass449.03
IUPAC Name2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
SMILESCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1
InChIInChI=1S/C23H16BrNO4/c1-28-16-9-6-14(7-10-16)22-13-20(26)18-12-15(8-11-21(18)29-22)25-23(27)17-4-2-3-5-19(17)24/h2-13H,1H3,(H,25,27)
InChIKeyRNGABGHCVXMDAZ-UHFFFAOYSA-N
XLogP5.48
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
2-methoxy-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568743
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]-2-fluorobenzamide
CID 18568810
2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773563
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide (CID 18568849) is 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide is COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The InChIKey is RNGABGHCVXMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO4/c1-28-16-9-6-14(7-10-16)22-13-20(26)18-12-15(8-11-21(18)29-22)25-23(27)17-4-2-3-5-19(17)24/h2-13H,1H3,(H,25,27).
What are the key properties of 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide has a molecular weight of 450.29 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide is sourced from PubChem (CID 18568849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).