N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide

C24H17NO6 — CID 98476256

IUPACN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2o1
InChIInChI=1S/C24H17NO6/c1-28-19-5-3-2-4-17(19)22-12-18(26)16-8-7-15(11-21(16)31-22)25-24(27)14-6-9-20-23(10-14)30-13-29-20/h2-12H,13H2,1H3,(H,25,27)
InChIKeyYOJNKGJZZCOOIJ-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.45
Rot. Bonds4

About N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide

N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 98476256) has the molecular formula C24H17NO6 and a molecular weight of 415.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID98476256
Molecular FormulaC24H17NO6
Molecular Weight415.40 g/mol
Exact Mass415.11
IUPAC NameN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2o1
InChIInChI=1S/C24H17NO6/c1-28-19-5-3-2-4-17(19)22-12-18(26)16-8-7-15(11-21(16)31-22)25-24(27)14-6-9-20-23(10-14)30-13-29-20/h2-12H,13H2,1H3,(H,25,27)
InChIKeyYOJNKGJZZCOOIJ-UHFFFAOYSA-N
XLogP4.45
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
N-[3-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 155511534
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide (CID 98476256) is N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide is COc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2o1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YOJNKGJZZCOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO6/c1-28-19-5-3-2-4-17(19)22-12-18(26)16-8-7-15(11-21(16)31-22)25-24(27)14-6-9-20-23(10-14)30-13-29-20/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 98476256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).