4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide

C22H17NO3 — CID 23472102

IUPAC4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(=O)c4cccc(C)c4oc3c2)cc1
InChIInChI=1S/C22H17NO3/c1-13-6-8-15(9-7-13)22(25)23-16-10-11-17-19(12-16)26-21-14(2)4-3-5-18(21)20(17)24/h3-12H,1-2H3,(H,23,25)
InChIKeyKDDDSTIZIZCSJD-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.82
Rot. Bonds2

About 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide

4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide (PubChem CID 23472102) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
PubChem CID23472102
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(=O)c4cccc(C)c4oc3c2)cc1
InChIInChI=1S/C22H17NO3/c1-13-6-8-15(9-7-13)22(25)23-16-10-11-17-19(12-16)26-21-14(2)4-3-5-18(21)20(17)24/h3-12H,1-2H3,(H,23,25)
InChIKeyKDDDSTIZIZCSJD-UHFFFAOYSA-N
XLogP4.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.82
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

N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide
CID 23471925
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide
CID 4896982
2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
CID 23471848
2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
CID 4901432
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(6,7-dimethyl-9-oxoxanthen-3-yl)-3-nitrobenzamide
CID 23471985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide (CID 23472102) is 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3c(=O)c4cccc(C)c4oc3c2)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide?
The InChIKey is KDDDSTIZIZCSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-13-6-8-15(9-7-13)22(25)23-16-10-11-17-19(12-16)26-21-14(2)4-3-5-18(21)20(17)24/h3-12H,1-2H3,(H,23,25).
What are the key properties of 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide?
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide has a molecular weight of 343.38 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 23472102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).