N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C23H17NO4 — CID 108790183

IUPACN-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccc(O)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H17NO4/c1-14-2-11-21-19(12-14)20(26)13-22(28-21)15-3-5-16(6-4-15)23(27)24-17-7-9-18(25)10-8-17/h2-13,25H,1H3,(H,24,27)
InChIKeyRPUZRWVSNALWMC-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.73
Rot. Bonds3

About N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790183) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790183
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC NameN-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccc(O)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C23H17NO4/c1-14-2-11-21-19(12-14)20(26)13-22(28-21)15-3-5-16(6-4-15)23(27)24-17-7-9-18(25)10-8-17/h2-13,25H,1H3,(H,24,27)
InChIKeyRPUZRWVSNALWMC-UHFFFAOYSA-N
XLogP4.73
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790183) is N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4ccc(O)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is RPUZRWVSNALWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-14-2-11-21-19(12-14)20(26)13-22(28-21)15-3-5-16(6-4-15)23(27)24-17-7-9-18(25)10-8-17/h2-13,25H,1H3,(H,24,27).
What are the key properties of N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 371.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).