N-(4-anilino-2-oxochromen-3-yl)acetamide

C17H14N2O3 — CID 767072

IUPACN-(4-anilino-2-oxochromen-3-yl)acetamide
SMILESCC(=O)Nc1c(Nc2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C17H14N2O3/c1-11(20)18-16-15(19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)22-17(16)21/h2-10,19H,1H3,(H,18,20)
InChIKeyCISKFRQDLCWVKU-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.49
Rot. Bonds3

About N-(4-anilino-2-oxochromen-3-yl)acetamide

N-(4-anilino-2-oxochromen-3-yl)acetamide (PubChem CID 767072) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-anilino-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-anilino-2-oxochromen-3-yl)acetamide
PubChem CID767072
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(4-anilino-2-oxochromen-3-yl)acetamide
SMILESCC(=O)Nc1c(Nc2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C17H14N2O3/c1-11(20)18-16-15(19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)22-17(16)21/h2-10,19H,1H3,(H,18,20)
InChIKeyCISKFRQDLCWVKU-UHFFFAOYSA-N
XLogP3.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-anilino-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(4-anilino-2-oxochromen-3-yl)acetamide (CID 767072) is N-(4-anilino-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(4-anilino-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(4-anilino-2-oxochromen-3-yl)acetamide is CC(=O)Nc1c(Nc2ccccc2)c2ccccc2oc1=O.
What is the InChIKey of N-(4-anilino-2-oxochromen-3-yl)acetamide?
The InChIKey is CISKFRQDLCWVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(20)18-16-15(19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)22-17(16)21/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-(4-anilino-2-oxochromen-3-yl)acetamide?
N-(4-anilino-2-oxochromen-3-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 767072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).