5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide

C12H7BrF2N2O2S — CID 30497119

IUPAC5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7BrF2N2O2S/c13-10-4-3-9(20-10)12(19)17-16-11(18)6-1-2-7(14)8(15)5-6/h1-5H,(H,16,18)(H,17,19)
InChIKeyPVRNRWFVUBNLGW-UHFFFAOYSA-N
MW361.17 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide

5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide (PubChem CID 30497119) has the molecular formula C12H7BrF2N2O2S and a molecular weight of 361.17 g/mol. Its IUPAC name is 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
PubChem CID30497119
Molecular FormulaC12H7BrF2N2O2S
Molecular Weight361.17 g/mol
Exact Mass359.94
IUPAC Name5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7BrF2N2O2S/c13-10-4-3-9(20-10)12(19)17-16-11(18)6-1-2-7(14)8(15)5-6/h1-5H,(H,16,18)(H,17,19)
InChIKeyPVRNRWFVUBNLGW-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 52.86
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

5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
5-bromo-N-(5-bromo-2-fluorophenyl)thiophene-2-carboxamide
CID 61076675
5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 31728771
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide
CID 9154765

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide (CID 30497119) is 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is PVRNRWFVUBNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O2S/c13-10-4-3-9(20-10)12(19)17-16-11(18)6-1-2-7(14)8(15)5-6/h1-5H,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide?
5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 361.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 30497119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).