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

C17H11Cl2NO4 — CID 1337843

IUPACN-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1
InChIInChI=1S/C17H11Cl2NO4/c1-23-11-3-5-15-9(6-11)7-12(17(22)24-15)16(21)20-14-8-10(18)2-4-13(14)19/h2-8H,1H3,(H,20,21)
InChIKeySCEVLYKTQFMNCJ-UHFFFAOYSA-N
MW364.18 g/mol
LogP4.36
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 1337843) has the molecular formula C17H11Cl2NO4 and a molecular weight of 364.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID1337843
Molecular FormulaC17H11Cl2NO4
Molecular Weight364.18 g/mol
Exact Mass363.01
IUPAC NameN-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1
InChIInChI=1S/C17H11Cl2NO4/c1-23-11-3-5-15-9(6-11)7-12(17(22)24-15)16(21)20-14-8-10(18)2-4-13(14)19/h2-8H,1H3,(H,20,21)
InChIKeySCEVLYKTQFMNCJ-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

6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 21239589
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide (CID 1337843) is N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is SCEVLYKTQFMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4/c1-23-11-3-5-15-9(6-11)7-12(17(22)24-15)16(21)20-14-8-10(18)2-4-13(14)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(2,5-dichlorophenyl)-6-methoxy-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 N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1337843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).