2-methyl-N-(9-oxoxanthen-3-yl)benzamide

C21H15NO3 — CID 23472165

IUPAC2-methyl-N-(9-oxoxanthen-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C21H15NO3/c1-13-6-2-3-7-15(13)21(24)22-14-10-11-17-19(12-14)25-18-9-5-4-8-16(18)20(17)23/h2-12H,1H3,(H,22,24)
InChIKeyOXOJOXBEEFBDLW-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.51
Rot. Bonds2

About 2-methyl-N-(9-oxoxanthen-3-yl)benzamide

2-methyl-N-(9-oxoxanthen-3-yl)benzamide (PubChem CID 23472165) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-N-(9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(9-oxoxanthen-3-yl)benzamide
PubChem CID23472165
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-methyl-N-(9-oxoxanthen-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C21H15NO3/c1-13-6-2-3-7-15(13)21(24)22-14-10-11-17-19(12-14)25-18-9-5-4-8-16(18)20(17)23/h2-12H,1H3,(H,22,24)
InChIKeyOXOJOXBEEFBDLW-UHFFFAOYSA-N
XLogP4.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
CID 4894452
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
CID 4901432
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568712
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
CID 23471848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(9-oxoxanthen-3-yl)benzamide (CID 23472165) is 2-methyl-N-(9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(9-oxoxanthen-3-yl)benzamide is Cc1ccccc1C(=O)Nc1ccc2c(=O)c3ccccc3oc2c1.
What is the InChIKey of 2-methyl-N-(9-oxoxanthen-3-yl)benzamide?
The InChIKey is OXOJOXBEEFBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-13-6-2-3-7-15(13)21(24)22-14-10-11-17-19(12-14)25-18-9-5-4-8-16(18)20(17)23/h2-12H,1H3,(H,22,24).
What are the key properties of 2-methyl-N-(9-oxoxanthen-3-yl)benzamide?
2-methyl-N-(9-oxoxanthen-3-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 23472165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).