N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide

C23H17NO3 — CID 18568672

IUPACN-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
SMILESCc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3o2)c1
InChIInChI=1S/C23H17NO3/c1-15-6-5-9-17(12-15)22-14-20(25)19-13-18(10-11-21(19)27-22)24-23(26)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,26)
InChIKeyCAHNODVKNTYQII-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.02
Rot. Bonds3

About N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide

N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide (PubChem CID 18568672) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
PubChem CID18568672
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC NameN-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
SMILESCc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3o2)c1
InChIInChI=1S/C23H17NO3/c1-15-6-5-9-17(12-15)22-14-20(25)19-13-18(10-11-21(19)27-22)24-23(26)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,26)
InChIKeyCAHNODVKNTYQII-UHFFFAOYSA-N
XLogP5.02
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568743
2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274473
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-oxo-2-phenylchromen-6-yl)pyridine-3-carboxamide
CID 18568664
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568688
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide?
The IUPAC name of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide (CID 18568672) is N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide?
The canonical SMILES for N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide is Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3o2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide?
The InChIKey is CAHNODVKNTYQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-15-6-5-9-17(12-15)22-14-20(25)19-13-18(10-11-21(19)27-22)24-23(26)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,26).
What are the key properties of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide?
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide has a molecular weight of 355.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide is sourced from PubChem (CID 18568672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).