N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide

C17H14N2O3 — CID 70365465

IUPACN-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(=O)c2c(N)cccc2o1
InChIInChI=1S/C17H14N2O3/c1-10(20)19-13-7-3-2-5-11(13)16-9-14(21)17-12(18)6-4-8-15(17)22-16/h2-9H,18H2,1H3,(H,19,20)
InChIKeyQEKZCJZVEFPDSY-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.00
Rot. Bonds2

About N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide

N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide (PubChem CID 70365465) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
PubChem CID70365465
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(=O)c2c(N)cccc2o1
InChIInChI=1S/C17H14N2O3/c1-10(20)19-13-7-3-2-5-11(13)16-9-14(21)17-12(18)6-4-8-15(17)22-16/h2-9H,18H2,1H3,(H,19,20)
InChIKeyQEKZCJZVEFPDSY-UHFFFAOYSA-N
XLogP3.00
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[2-(propylamino)phenyl]chromen-4-one
CID 70365232
N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide
CID 70365223
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
CID 14885021
4-(5-amino-4-oxochromen-2-yl)benzoic acid
CID 10636519
5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
CID 54435268
5-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 10564703
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366089
5-(2-acetamidophenyl)furan-2-carboxylic acid
CID 91687919
N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide
CID 70365404
N-(6-oxobenzo[c]chromen-7-yl)acetamide
CID 69024767

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide (CID 70365465) is N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(=O)c2c(N)cccc2o1.
What is the InChIKey of N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide?
The InChIKey is QEKZCJZVEFPDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10(20)19-13-7-3-2-5-11(13)16-9-14(21)17-12(18)6-4-8-15(17)22-16/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide?
N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide is sourced from PubChem (CID 70365465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).