4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide

C16H16Br2N2O3S — CID 24634651

IUPAC4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(Br)c(Br)s2)c1C
InChIInChI=1S/C16H16Br2N2O3S/c1-8-5-4-6-12(9(8)2)23-10(3)15(21)19-20-16(22)13-7-11(17)14(18)24-13/h4-7,10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZHLYMZFFQMWSLC-UHFFFAOYSA-N
MW476.19 g/mol
LogP4.12
Rot. Bonds4

About 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide

4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide (PubChem CID 24634651) has the molecular formula C16H16Br2N2O3S and a molecular weight of 476.19 g/mol. Its IUPAC name is 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
PubChem CID24634651
Molecular FormulaC16H16Br2N2O3S
Molecular Weight476.19 g/mol
Exact Mass473.92
IUPAC Name4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(Br)c(Br)s2)c1C
InChIInChI=1S/C16H16Br2N2O3S/c1-8-5-4-6-12(9(8)2)23-10(3)15(21)19-20-16(22)13-7-11(17)14(18)24-13/h4-7,10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZHLYMZFFQMWSLC-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.19
LogP ≤ 54.12
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

5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
CID 9088832
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide (CID 24634651) is 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cc(Br)c(Br)s2)c1C.
What is the InChIKey of 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is ZHLYMZFFQMWSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O3S/c1-8-5-4-6-12(9(8)2)23-10(3)15(21)19-20-16(22)13-7-11(17)14(18)24-13/h4-7,10H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 476.19 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 24634651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).