N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide

C17H15NO3 — CID 19837990

IUPACN-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)OC(c1ccccc1)CC2=O
InChIInChI=1S/C17H15NO3/c1-11(19)18-13-7-8-14-15(20)10-16(21-17(14)9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,18,19)
InChIKeyZPDRCBYTTWCYMW-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.35
Rot. Bonds2

About N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide

N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide (PubChem CID 19837990) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
PubChem CID19837990
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)OC(c1ccccc1)CC2=O
InChIInChI=1S/C17H15NO3/c1-11(19)18-13-7-8-14-15(20)10-16(21-17(14)9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,18,19)
InChIKeyZPDRCBYTTWCYMW-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide?
The IUPAC name of N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide (CID 19837990) is N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide.
What is the SMILES notation for N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide?
The canonical SMILES for N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide is CC(=O)Nc1ccc2c(c1)OC(c1ccccc1)CC2=O.
What is the InChIKey of N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide?
The InChIKey is ZPDRCBYTTWCYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(19)18-13-7-8-14-15(20)10-16(21-17(14)9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,18,19).
What are the key properties of N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide?
N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide is sourced from PubChem (CID 19837990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).