2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide

C22H16N2O6 — CID 4795712

IUPAC2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H16N2O6/c25-20(17-12-14-6-4-5-9-18(14)30-22(17)27)23-24-21(26)19-11-10-16(29-19)13-28-15-7-2-1-3-8-15/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyOFFBCLZFMYYFJG-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.04
Rot. Bonds5

About 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide

2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide (PubChem CID 4795712) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
PubChem CID4795712
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H16N2O6/c25-20(17-12-14-6-4-5-9-18(14)30-22(17)27)23-24-21(26)19-11-10-16(29-19)13-28-15-7-2-1-3-8-15/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyOFFBCLZFMYYFJG-UHFFFAOYSA-N
XLogP3.04
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 46656994
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide?
The IUPAC name of 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide (CID 4795712) is 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide.
What is the SMILES notation for 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide?
The canonical SMILES for 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide?
The InChIKey is OFFBCLZFMYYFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c25-20(17-12-14-6-4-5-9-18(14)30-22(17)27)23-24-21(26)19-11-10-16(29-19)13-28-15-7-2-1-3-8-15/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide?
2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide has a molecular weight of 404.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide is sourced from PubChem (CID 4795712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).