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

C17H13NO3 — CID 17102592

IUPACN-[3-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C17H13NO3/c1-11(19)18-14-7-4-6-12(9-14)15-10-13-5-2-3-8-16(13)21-17(15)20/h2-10H,1H3,(H,18,19)
InChIKeyLSTWXLBDPRCVKM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.42
Rot. Bonds2

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

N-[3-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 17102592) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[3-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID17102592
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-[3-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C17H13NO3/c1-11(19)18-14-7-4-6-12(9-14)15-10-13-5-2-3-8-16(13)21-17(15)20/h2-10H,1H3,(H,18,19)
InChIKeyLSTWXLBDPRCVKM-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-oxochromen-3-yl)phenyl]acetamide (CID 17102592) is N-[3-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-oxochromen-3-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is LSTWXLBDPRCVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11(19)18-14-7-4-6-12(9-14)15-10-13-5-2-3-8-16(13)21-17(15)20/h2-10H,1H3,(H,18,19).
What are the key properties of N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
N-[3-(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-[3-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 17102592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).