4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide

C24H19NO5 — CID 18568776

IUPAC4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1
InChIInChI=1S/C24H19NO5/c1-28-18-8-3-15(4-9-18)23-14-21(26)20-13-17(7-12-22(20)30-23)25-24(27)16-5-10-19(29-2)11-6-16/h3-14H,1-2H3,(H,25,27)
InChIKeyDISRAAKZWOLJSB-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.73
Rot. Bonds5

About 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide

4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide (PubChem CID 18568776) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
PubChem CID18568776
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1
InChIInChI=1S/C24H19NO5/c1-28-18-8-3-15(4-9-18)23-14-21(26)20-13-17(7-12-22(20)30-23)25-24(27)16-5-10-19(29-2)11-6-16/h3-14H,1-2H3,(H,25,27)
InChIKeyDISRAAKZWOLJSB-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

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Related Compounds

3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
CID 27532654
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
4-methoxy-N-(4-oxochromen-6-yl)benzamide
CID 22371111
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]pyridine-4-carboxamide
CID 27532214
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide (CID 18568776) is 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide is COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The InChIKey is DISRAAKZWOLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-18-8-3-15(4-9-18)23-14-21(26)20-13-17(7-12-22(20)30-23)25-24(27)16-5-10-19(29-2)11-6-16/h3-14H,1-2H3,(H,25,27).
What are the key properties of 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-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 4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide is sourced from PubChem (CID 18568776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).