N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide

C20H21N5O3 — CID 51192314

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)c1C
InChIInChI=1S/C20H21N5O3/c1-13-5-4-6-18(14(13)2)28-15(3)19(26)23-24-20(27)16-7-9-17(10-8-16)25-12-21-11-22-25/h4-12,15H,1-3H3,(H,23,26)(H,24,27)
InChIKeyIINHSYCRMUSSPA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.11
Rot. Bonds5

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide (PubChem CID 51192314) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
PubChem CID51192314
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)c1C
InChIInChI=1S/C20H21N5O3/c1-13-5-4-6-18(14(13)2)28-15(3)19(26)23-24-20(27)16-7-9-17(10-8-16)25-12-21-11-22-25/h4-12,15H,1-3H3,(H,23,26)(H,24,27)
InChIKeyIINHSYCRMUSSPA-UHFFFAOYSA-N
XLogP2.11
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
ethyl 1-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 46403422
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 26820827
2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 17011478
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
CID 24513990

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide (CID 51192314) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide?
The InChIKey is IINHSYCRMUSSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-5-4-6-18(14(13)2)28-15(3)19(26)23-24-20(27)16-7-9-17(10-8-16)25-12-21-11-22-25/h4-12,15H,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide has a molecular weight of 379.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide is sourced from PubChem (CID 51192314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).