5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide

C18H18BrFN2O3 — CID 43011953

IUPAC5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C18H18BrFN2O3/c1-10-5-4-6-16(11(10)2)25-12(3)17(23)21-22-18(24)14-9-13(19)7-8-15(14)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKWPQRRLZWHMYCP-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide

5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide (PubChem CID 43011953) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
PubChem CID43011953
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC Name5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C18H18BrFN2O3/c1-10-5-4-6-16(11(10)2)25-12(3)17(23)21-22-18(24)14-9-13(19)7-8-15(14)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKWPQRRLZWHMYCP-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.43
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

5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 55913791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24634651
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide (CID 43011953) is 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cc(Br)ccc2F)c1C.
What is the InChIKey of 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is KWPQRRLZWHMYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c1-10-5-4-6-16(11(10)2)25-12(3)17(23)21-22-18(24)14-9-13(19)7-8-15(14)20/h4-9,12H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide has a molecular weight of 409.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 43011953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).