6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide

C18H13Cl2NO5 — CID 1264879

IUPAC6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c(OC)c1
InChIInChI=1S/C18H13Cl2NO5/c1-24-11-3-4-14(15(8-11)25-2)21-17(22)12-6-9-5-10(19)7-13(20)16(9)26-18(12)23/h3-8H,1-2H3,(H,21,22)
InChIKeyHSIDGYJSAFUAAC-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.37
Rot. Bonds4

About 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide

6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 1264879) has the molecular formula C18H13Cl2NO5 and a molecular weight of 394.21 g/mol. Its IUPAC name is 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID1264879
Molecular FormulaC18H13Cl2NO5
Molecular Weight394.21 g/mol
Exact Mass393.02
IUPAC Name6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c(OC)c1
InChIInChI=1S/C18H13Cl2NO5/c1-24-11-3-4-14(15(8-11)25-2)21-17(22)12-6-9-5-10(19)7-13(20)16(9)26-18(12)23/h3-8H,1-2H3,(H,21,22)
InChIKeyHSIDGYJSAFUAAC-UHFFFAOYSA-N
XLogP4.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.37
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

6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 2283975
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
6,8-dichloro-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 18524696
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide (CID 1264879) is 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c(OC)c1.
What is the InChIKey of 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is HSIDGYJSAFUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO5/c1-24-11-3-4-14(15(8-11)25-2)21-17(22)12-6-9-5-10(19)7-13(20)16(9)26-18(12)23/h3-8H,1-2H3,(H,21,22).
What are the key properties of 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 394.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1264879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).