6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide

C16H7Cl4NO3 — CID 2283975

IUPAC6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C16H7Cl4NO3/c17-8-1-2-11(19)13(6-8)21-15(22)10-4-7-3-9(18)5-12(20)14(7)24-16(10)23/h1-6H,(H,21,22)
InChIKeyWVCGZMCFIAXMJH-UHFFFAOYSA-N
MW403.05 g/mol
LogP5.66
Rot. Bonds2

About 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide

6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 2283975) has the molecular formula C16H7Cl4NO3 and a molecular weight of 403.05 g/mol. Its IUPAC name is 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
PubChem CID2283975
Molecular FormulaC16H7Cl4NO3
Molecular Weight403.05 g/mol
Exact Mass400.92
IUPAC Name6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C16H7Cl4NO3/c17-8-1-2-11(19)13(6-8)21-15(22)10-4-7-3-9(18)5-12(20)14(7)24-16(10)23/h1-6H,(H,21,22)
InChIKeyWVCGZMCFIAXMJH-UHFFFAOYSA-N
XLogP5.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.05
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1264879
6,8-dichloro-3-(6,8-dichloro-2-oxochromene-3-carbonyl)chromen-2-one
CID 12002419
6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 1318003
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
CID 100794805
6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 21235330
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide (CID 2283975) is 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is WVCGZMCFIAXMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl4NO3/c17-8-1-2-11(19)13(6-8)21-15(22)10-4-7-3-9(18)5-12(20)14(7)24-16(10)23/h1-6H,(H,21,22).
What are the key properties of 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 403.05 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2283975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).