4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide

C19H19N3O3 — CID 8880270

IUPAC4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)c1C
InChIInChI=1S/C19H19N3O3/c1-12-5-4-6-17(13(12)2)25-14(3)18(23)21-22-19(24)16-9-7-15(11-20)8-10-16/h4-10,14H,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyUIQLINXWJVCIEL-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds4

About 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide

4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide (PubChem CID 8880270) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
PubChem CID8880270
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)c1C
InChIInChI=1S/C19H19N3O3/c1-12-5-4-6-17(13(12)2)25-14(3)18(23)21-22-19(24)16-9-7-15(11-20)8-10-16/h4-10,14H,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyUIQLINXWJVCIEL-AWEZNQCLSA-N
XLogP2.40
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
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

4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
N-[(2S)-1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55943153
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide (CID 8880270) is 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide is Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)c1C.
What is the InChIKey of 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The InChIKey is UIQLINXWJVCIEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-5-4-6-17(13(12)2)25-14(3)18(23)21-22-19(24)16-9-7-15(11-20)8-10-16/h4-10,14H,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide has a molecular weight of 337.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 8880270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).