N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide

C19H18F4N2O3 — CID 60596269

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F4N2O3/c1-10-5-4-6-16(11(10)2)28-12(3)17(26)24-25-18(27)13-7-8-15(20)14(9-13)19(21,22)23/h4-9,12H,1-3H3,(H,24,26)(H,25,27)
InChIKeyLWAXMFORJLQVBB-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.69
Rot. Bonds4

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide (PubChem CID 60596269) has the molecular formula C19H18F4N2O3 and a molecular weight of 398.36 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
PubChem CID60596269
Molecular FormulaC19H18F4N2O3
Molecular Weight398.36 g/mol
Exact Mass398.13
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F4N2O3/c1-10-5-4-6-16(11(10)2)28-12(3)17(26)24-25-18(27)13-7-8-15(20)14(9-13)19(21,22)23/h4-9,12H,1-3H3,(H,24,26)(H,25,27)
InChIKeyLWAXMFORJLQVBB-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.69
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
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 55352046
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
tert-butyl N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]carbamate
CID 55388487
(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-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide (CID 60596269) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide?
The InChIKey is LWAXMFORJLQVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O3/c1-10-5-4-6-16(11(10)2)28-12(3)17(26)24-25-18(27)13-7-8-15(20)14(9-13)19(21,22)23/h4-9,12H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide has a molecular weight of 398.36 g/mol, XLogP of 3.69, 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]-4-fluoro-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 60596269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).