N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide

C12H7BrCl2N2O2S — CID 27672192

IUPACN'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccccc1Br
InChIInChI=1S/C12H7BrCl2N2O2S/c13-8-4-2-1-3-6(8)11(18)16-17-12(19)7-5-9(14)20-10(7)15/h1-5H,(H,16,18)(H,17,19)
InChIKeyWMKGHZJWAJHMGX-UHFFFAOYSA-N
MW394.08 g/mol
LogP3.89
Rot. Bonds2

About N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide

N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide (PubChem CID 27672192) has the molecular formula C12H7BrCl2N2O2S and a molecular weight of 394.08 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
PubChem CID27672192
Molecular FormulaC12H7BrCl2N2O2S
Molecular Weight394.08 g/mol
Exact Mass391.88
IUPAC NameN'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccccc1Br
InChIInChI=1S/C12H7BrCl2N2O2S/c13-8-4-2-1-3-6(8)11(18)16-17-12(19)7-5-9(14)20-10(7)15/h1-5H,(H,16,18)(H,17,19)
InChIKeyWMKGHZJWAJHMGX-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.08
LogP ≤ 53.89
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-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide
CID 46652348
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
CID 2712122
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
CID 9037806

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide (CID 27672192) is N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide is O=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccccc1Br.
What is the InChIKey of N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide?
The InChIKey is WMKGHZJWAJHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O2S/c13-8-4-2-1-3-6(8)11(18)16-17-12(19)7-5-9(14)20-10(7)15/h1-5H,(H,16,18)(H,17,19).
What are the key properties of N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide?
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide has a molecular weight of 394.08 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide is sourced from PubChem (CID 27672192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).