N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide

C16H14F2N2O4 — CID 24645355

IUPACN'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C16H14F2N2O4/c1-23-13-4-3-9(7-14(13)24-2)15(21)19-20-16(22)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWLXLWUYOEQPVST-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.06
Rot. Bonds4

About N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide

N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide (PubChem CID 24645355) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
PubChem CID24645355
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC NameN'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C16H14F2N2O4/c1-23-13-4-3-9(7-14(13)24-2)15(21)19-20-16(22)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWLXLWUYOEQPVST-UHFFFAOYSA-N
XLogP2.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.06
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

N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3523041

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide (CID 24645355) is N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)cc1OC.
What is the InChIKey of N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide?
The InChIKey is WLXLWUYOEQPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-23-13-4-3-9(7-14(13)24-2)15(21)19-20-16(22)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide?
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide has a molecular weight of 336.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 24645355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).