N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide

C17H12BrNO3 — CID 121366089

IUPACN-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1Br
InChIInChI=1S/C17H12BrNO3/c1-10(20)19-12-7-8-14-16(17(12)18)13(21)9-15(22-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)
InChIKeyAAWPCLVNULNHQJ-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.18
Rot. Bonds2

About N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide

N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide (PubChem CID 121366089) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide
PubChem CID121366089
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC NameN-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1Br
InChIInChI=1S/C17H12BrNO3/c1-10(20)19-12-7-8-14-16(17(12)18)13(21)9-15(22-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)
InChIKeyAAWPCLVNULNHQJ-UHFFFAOYSA-N
XLogP4.18
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-methoxy-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366062
7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
CID 142673083
CID 172853606
CID 172853606
N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
CID 70365465
5-(3-methylbuta-1,3-dien-2-yl)-2-phenylchromen-4-one
CID 134612835
2,5-diphenylchromen-4-one
CID 71424268
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
7-anilino-5-hydroxy-2-phenylchromen-4-one
CID 164946024
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide?
The IUPAC name of N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide (CID 121366089) is N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide.
What is the SMILES notation for N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide?
The canonical SMILES for N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide is CC(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1Br.
What is the InChIKey of N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide?
The InChIKey is AAWPCLVNULNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c1-10(20)19-12-7-8-14-16(17(12)18)13(21)9-15(22-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide?
N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide has a molecular weight of 358.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide is sourced from PubChem (CID 121366089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).