3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide

C24H19NO5 — CID 6486652

IUPAC3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1OC
InChIInChI=1S/C24H19NO5/c1-28-21-12-9-17(14-22(21)29-2)23(26)25-18-10-7-15(8-11-18)19-13-16-5-3-4-6-20(16)30-24(19)27/h3-14H,1-2H3,(H,25,26)
InChIKeySXMPMJHBPQHEIS-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.73
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide

3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 6486652) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID6486652
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1OC
InChIInChI=1S/C24H19NO5/c1-28-21-12-9-17(14-22(21)29-2)23(26)25-18-10-7-15(8-11-18)19-13-16-5-3-4-6-20(16)30-24(19)27/h3-14H,1-2H3,(H,25,26)
InChIKeySXMPMJHBPQHEIS-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

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
3-methyl-4-nitro-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 23992064
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675598

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide (CID 6486652) is 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is SXMPMJHBPQHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-21-12-9-17(14-22(21)29-2)23(26)25-18-10-7-15(8-11-18)19-13-16-5-3-4-6-20(16)30-24(19)27/h3-14H,1-2H3,(H,25,26).
What are the key properties of 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]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 3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 6486652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).