6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide

C18H14ClNO5 — CID 7223522

IUPAC6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1
InChIInChI=1S/C18H14ClNO5/c1-23-12-4-6-16(24-2)14(9-12)20-17(21)13-8-10-7-11(19)3-5-15(10)25-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyVEQWHIYOSXTBLA-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.72
Rot. Bonds4

About 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide

6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 7223522) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID7223522
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1
InChIInChI=1S/C18H14ClNO5/c1-23-12-4-6-16(24-2)14(9-12)20-17(21)13-8-10-7-11(19)3-5-15(10)25-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyVEQWHIYOSXTBLA-UHFFFAOYSA-N
XLogP3.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.72
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

N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207195
N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 21239589
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide
CID 1208241
6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1264879
methyl 3-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-methylbenzoate
CID 1246140
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-bromo-N-(5-tert-butyl-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 2102409
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide (CID 7223522) is 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1.
What is the InChIKey of 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is VEQWHIYOSXTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-23-12-4-6-16(24-2)14(9-12)20-17(21)13-8-10-7-11(19)3-5-15(10)25-18(13)22/h3-9H,1-2H3,(H,20,21).
What are the key properties of 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7223522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).