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

C19H21FN2O3 — CID 42887837

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)cc1F
InChIInChI=1S/C19H21FN2O3/c1-11-6-5-7-17(13(11)3)25-14(4)18(23)21-22-19(24)15-9-8-12(2)16(20)10-15/h5-10,14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyCAUUYUMXVGLQLW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.98
Rot. Bonds4

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

N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide (PubChem CID 42887837) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
PubChem CID42887837
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)cc1F
InChIInChI=1S/C19H21FN2O3/c1-11-6-5-7-17(13(11)3)25-14(4)18(23)21-22-19(24)15-9-8-12(2)16(20)10-15/h5-10,14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyCAUUYUMXVGLQLW-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.98
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]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
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
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
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
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185
tert-butyl N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]carbamate
CID 55388487

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide (CID 42887837) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)cc1F.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide?
The InChIKey is CAUUYUMXVGLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-11-6-5-7-17(13(11)3)25-14(4)18(23)21-22-19(24)15-9-8-12(2)16(20)10-15/h5-10,14H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide has a molecular weight of 344.39 g/mol, XLogP of 2.98, 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]-3-fluoro-4-methylbenzohydrazide is sourced from PubChem (CID 42887837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).