8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide

C17H11Cl2NO4 — CID 100794843

IUPAC8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C17H11Cl2NO4/c1-23-14-6-5-10(18)8-13(14)20-16(21)11-7-9-3-2-4-12(19)15(9)24-17(11)22/h2-8H,1H3,(H,20,21)
InChIKeySZSVXJFYGFPXQQ-UHFFFAOYSA-N
MW364.18 g/mol
LogP4.36
Rot. Bonds3

About 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide

8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 100794843) has the molecular formula C17H11Cl2NO4 and a molecular weight of 364.18 g/mol. Its IUPAC name is 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID100794843
Molecular FormulaC17H11Cl2NO4
Molecular Weight364.18 g/mol
Exact Mass363.01
IUPAC Name8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C17H11Cl2NO4/c1-23-14-6-5-10(18)8-13(14)20-16(21)11-7-9-3-2-4-12(19)15(9)24-17(11)22/h2-8H,1H3,(H,20,21)
InChIKeySZSVXJFYGFPXQQ-UHFFFAOYSA-N
XLogP4.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
CID 100794805
8-chloro-N-(2-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794922
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 2283975
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide (CID 100794843) is 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc2cccc(Cl)c2oc1=O.
What is the InChIKey of 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is SZSVXJFYGFPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4/c1-23-14-6-5-10(18)8-13(14)20-16(21)11-7-9-3-2-4-12(19)15(9)24-17(11)22/h2-8H,1H3,(H,20,21).
What are the key properties of 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide?
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 364.18 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).