N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide

C17H13NO4 — CID 141231274

IUPACN-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
SMILESCC(=O)Nc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C17H13NO4/c1-10(19)18-12-8-5-9-13-14(12)15(20)16(21)17(22-13)11-6-3-2-4-7-11/h2-9,21H,1H3,(H,18,19)
InChIKeyPBHMFJWEDGCBLG-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.12
Rot. Bonds2

About N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide

N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide (PubChem CID 141231274) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
PubChem CID141231274
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
SMILESCC(=O)Nc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C17H13NO4/c1-10(19)18-12-8-5-9-13-14(12)15(20)16(21)17(22-13)11-6-3-2-4-7-11/h2-9,21H,1H3,(H,18,19)
InChIKeyPBHMFJWEDGCBLG-UHFFFAOYSA-N
XLogP3.12
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-hydroxy-5-pentyl-2-phenylchromen-4-one
CID 67380018
3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
CID 168878132
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
N-(6-oxobenzo[c]chromen-7-yl)acetamide
CID 69024767
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
CID 70417264

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide?
The IUPAC name of N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide (CID 141231274) is N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide is CC(=O)Nc1cccc2oc(-c3ccccc3)c(O)c(=O)c12.
What is the InChIKey of N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide?
The InChIKey is PBHMFJWEDGCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-10(19)18-12-8-5-9-13-14(12)15(20)16(21)17(22-13)11-6-3-2-4-7-11/h2-9,21H,1H3,(H,18,19).
What are the key properties of N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide?
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide has a molecular weight of 295.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide is sourced from PubChem (CID 141231274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).