N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide

C21H19ClN2O4 — CID 7976394

IUPACN'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C21H19ClN2O4/c1-13-11-18(14(2)28-13)21(26)24-23-20(25)17-5-3-4-6-19(17)27-12-15-7-9-16(22)10-8-15/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJHFQQTIOYQXLAH-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.20
Rot. Bonds5

About N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 7976394) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID7976394
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC NameN'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C21H19ClN2O4/c1-13-11-18(14(2)28-13)21(26)24-23-20(25)17-5-3-4-6-19(17)27-12-15-7-9-16(22)10-8-15/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJHFQQTIOYQXLAH-UHFFFAOYSA-N
XLogP4.20
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
2-[(4-chlorophenyl)methoxy]-N-(2-methylbutan-2-yl)benzamide
CID 2115327
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9084951
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
(4-methylphenyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 7901065
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 7976394) is N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is JHFQQTIOYQXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-13-11-18(14(2)28-13)21(26)24-23-20(25)17-5-3-4-6-19(17)27-12-15-7-9-16(22)10-8-15/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 398.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 7976394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).