N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide

C18H18F2N2O3 — CID 43008416

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2c(F)cccc2F)c1C
InChIInChI=1S/C18H18F2N2O3/c1-10-6-4-9-15(11(10)2)25-12(3)17(23)21-22-18(24)16-13(19)7-5-8-14(16)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKZNLLZOLPOGXDN-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.81
Rot. Bonds4

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide (PubChem CID 43008416) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
PubChem CID43008416
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2c(F)cccc2F)c1C
InChIInChI=1S/C18H18F2N2O3/c1-10-6-4-9-15(11(10)2)25-12(3)17(23)21-22-18(24)16-13(19)7-5-8-14(16)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKZNLLZOLPOGXDN-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
3-(2-chloro-6-fluorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 43006892
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 55341907
2,6-difluoro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55342334

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide (CID 43008416) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2c(F)cccc2F)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide?
The InChIKey is KZNLLZOLPOGXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-10-6-4-9-15(11(10)2)25-12(3)17(23)21-22-18(24)16-13(19)7-5-8-14(16)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide has a molecular weight of 348.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide is sourced from PubChem (CID 43008416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).