4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide

C18H15NO2 — CID 90179586

IUPAC4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide
SMILESCC1C(=O)C(C(=O)Nc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C18H15NO2/c1-12-15-10-6-5-7-13(15)11-16(17(12)20)18(21)19-14-8-3-2-4-9-14/h2-12H,1H3,(H,19,21)
InChIKeyBPCPZVZGJNVZFN-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.39
Rot. Bonds2

About 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide

4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide (PubChem CID 90179586) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide
PubChem CID90179586
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide
SMILESCC1C(=O)C(C(=O)Nc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C18H15NO2/c1-12-15-10-6-5-7-13(15)11-16(17(12)20)18(21)19-14-8-3-2-4-9-14/h2-12H,1H3,(H,19,21)
InChIKeyBPCPZVZGJNVZFN-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide (CID 90179586) is 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide is CC1C(=O)C(C(=O)Nc2ccccc2)=Cc2ccccc21.
What is the InChIKey of 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide?
The InChIKey is BPCPZVZGJNVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-15-10-6-5-7-13(15)11-16(17(12)20)18(21)19-14-8-3-2-4-9-14/h2-12H,1H3,(H,19,21).
What are the key properties of 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide?
4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide is sourced from PubChem (CID 90179586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).