N-[2-(2-oxochromen-3-yl)phenyl]acetamide

C17H13NO3 — CID 164684022

IUPACN-[2-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C17H13NO3/c1-11(19)18-15-8-4-3-7-13(15)14-10-12-6-2-5-9-16(12)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeyAXIRFICRJKMNFT-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.42
Rot. Bonds2

About N-[2-(2-oxochromen-3-yl)phenyl]acetamide

N-[2-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 164684022) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID164684022
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-[2-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C17H13NO3/c1-11(19)18-15-8-4-3-7-13(15)14-10-12-6-2-5-9-16(12)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKeyAXIRFICRJKMNFT-UHFFFAOYSA-N
XLogP3.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.42
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-(2-hydroxyphenyl)chromen-2-one
CID 819892
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-(9,10-dioxoanthracen-1-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3707397
methyl 4-methoxy-3-(2-oxochromen-3-yl)benzoate
CID 91688788
3-(3,5-ditert-butyl-2-hydroxyphenyl)chromen-2-one
CID 10405622
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
3-phenylchromen-2-one;hydrochloride
CID 141206894
N-(6-oxobenzo[c]chromen-7-yl)acetamide
CID 69024767
3-(2-hydroxyphenyl)-7-methylchromen-2-one
CID 164686833
4-(2-oxochromen-3-yl)benzoate
CID 4249737
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of N-[2-(2-oxochromen-3-yl)phenyl]acetamide (CID 164684022) is N-[2-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(2-oxochromen-3-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is AXIRFICRJKMNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11(19)18-15-8-4-3-7-13(15)14-10-12-6-2-5-9-16(12)21-17(14)20/h2-10H,1H3,(H,18,19).
What are the key properties of N-[2-(2-oxochromen-3-yl)phenyl]acetamide?
N-[2-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 164684022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).