N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

C20H17Cl2NO5 — CID 4871526

IUPACN-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1OC
InChIInChI=1S/C20H17Cl2NO5/c1-10-11-7-8-15(26-2)19(27-3)18(11)28-20(25)12(10)9-16(24)23-14-6-4-5-13(21)17(14)22/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyCEYVBSXAOCKPQG-UHFFFAOYSA-N
MW422.26 g/mol
LogP4.61
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 4871526) has the molecular formula C20H17Cl2NO5 and a molecular weight of 422.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID4871526
Molecular FormulaC20H17Cl2NO5
Molecular Weight422.26 g/mol
Exact Mass421.05
IUPAC NameN-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1OC
InChIInChI=1S/C20H17Cl2NO5/c1-10-11-7-8-15(26-2)19(27-3)18(11)28-20(25)12(10)9-16(24)23-14-6-4-5-13(21)17(14)22/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyCEYVBSXAOCKPQG-UHFFFAOYSA-N
XLogP4.61
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 54.61
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-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzamide
CID 4868879
N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4973849
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
CID 4868951
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 71692042
methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 71754264
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 41025248
methyl 4-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 4900058
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75492066
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
CID 56723679
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4870042
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 4871526) is N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1OC.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is CEYVBSXAOCKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO5/c1-10-11-7-8-15(26-2)19(27-3)18(11)28-20(25)12(10)9-16(24)23-14-6-4-5-13(21)17(14)22/h4-8H,9H2,1-3H3,(H,23,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 422.26 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4871526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).