7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide

C24H19N3O4 — CID 5262935

IUPAC7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(=O)oc2c1
InChIInChI=1S/C24H19N3O4/c1-2-30-20-13-8-16-14-21(24(29)31-22(16)15-20)23(28)25-17-9-11-19(12-10-17)27-26-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,25,28)/b27-26+
InChIKeyRHAMTGMTRLJKQP-CYYJNZCTSA-N
MW413.43 g/mol
LogP5.86
Rot. Bonds6

About 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide

7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide (PubChem CID 5262935) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
PubChem CID5262935
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(=O)oc2c1
InChIInChI=1S/C24H19N3O4/c1-2-30-20-13-8-16-14-21(24(29)31-22(16)15-20)23(28)25-17-9-11-19(12-10-17)27-26-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,25,28)/b27-26+
InChIKeyRHAMTGMTRLJKQP-CYYJNZCTSA-N
XLogP5.86
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide?
The IUPAC name of 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide (CID 5262935) is 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide?
The canonical SMILES for 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide is CCOc1ccc2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(=O)oc2c1.
What is the InChIKey of 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide?
The InChIKey is RHAMTGMTRLJKQP-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-2-30-20-13-8-16-14-21(24(29)31-22(16)15-20)23(28)25-17-9-11-19(12-10-17)27-26-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,25,28)/b27-26+.
What are the key properties of 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide?
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 5262935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).