3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide

C24H19NO5 — CID 18568778

IUPAC3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c1
InChIInChI=1S/C24H19NO5/c1-28-18-10-16(11-19(13-18)29-2)24(27)25-17-8-9-22-20(12-17)21(26)14-23(30-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,27)
InChIKeyHRUURCGZWAMXPQ-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.73
Rot. Bonds5

About 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide

3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide (PubChem CID 18568778) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
PubChem CID18568778
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c1
InChIInChI=1S/C24H19NO5/c1-28-18-10-16(11-19(13-18)29-2)24(27)25-17-8-9-22-20(12-17)21(26)14-23(30-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,27)
InChIKeyHRUURCGZWAMXPQ-UHFFFAOYSA-N
XLogP4.73
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
N-(4-oxo-2-phenylchromen-6-yl)pyridine-3-carboxamide
CID 18568664
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
2-methoxy-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568743
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide (CID 18568778) is 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide?
The InChIKey is HRUURCGZWAMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-18-10-16(11-19(13-18)29-2)24(27)25-17-8-9-22-20(12-17)21(26)14-23(30-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,27).
What are the key properties of 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide?
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide has a molecular weight of 401.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide is sourced from PubChem (CID 18568778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).