4-methyl-N-(4-oxochromen-3-yl)benzamide

C17H13NO3 — CID 155539705

IUPAC4-methyl-N-(4-oxochromen-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2coc3ccccc3c2=O)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)17(20)18-14-10-21-15-5-3-2-4-13(15)16(14)19/h2-10H,1H3,(H,18,20)
InChIKeyVAOSAOSIPLLBLH-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.35
Rot. Bonds2

About 4-methyl-N-(4-oxochromen-3-yl)benzamide

4-methyl-N-(4-oxochromen-3-yl)benzamide (PubChem CID 155539705) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-N-(4-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxochromen-3-yl)benzamide
PubChem CID155539705
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-methyl-N-(4-oxochromen-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2coc3ccccc3c2=O)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)17(20)18-14-10-21-15-5-3-2-4-13(15)16(14)19/h2-10H,1H3,(H,18,20)
InChIKeyVAOSAOSIPLLBLH-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944841
2-[(6-methyl-4-oxochromen-3-yl)amino]-2-oxoacetic acid
CID 70577533
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108745072
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
CID 52936781
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
2-methyl-1,1,4-trioxo-N-(4-oxochromen-3-yl)-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 13290575

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxochromen-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-oxochromen-3-yl)benzamide (CID 155539705) is 4-methyl-N-(4-oxochromen-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-oxochromen-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-oxochromen-3-yl)benzamide is Cc1ccc(C(=O)Nc2coc3ccccc3c2=O)cc1.
What is the InChIKey of 4-methyl-N-(4-oxochromen-3-yl)benzamide?
The InChIKey is VAOSAOSIPLLBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)17(20)18-14-10-21-15-5-3-2-4-13(15)16(14)19/h2-10H,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(4-oxochromen-3-yl)benzamide?
4-methyl-N-(4-oxochromen-3-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxochromen-3-yl)benzamide is sourced from PubChem (CID 155539705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).