4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide

C13H11BrFN3O2 — CID 27036737

IUPAC4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11BrFN3O2/c1-18-7-9(14)6-11(18)13(20)17-16-12(19)8-2-4-10(15)5-3-8/h2-7H,1H3,(H,16,19)(H,17,20)
InChIKeyVSGIOXAJHMQPCF-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.00
Rot. Bonds2

About 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 27036737) has the molecular formula C13H11BrFN3O2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID27036737
Molecular FormulaC13H11BrFN3O2
Molecular Weight340.15 g/mol
Exact Mass339.00
IUPAC Name4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11BrFN3O2/c1-18-7-9(14)6-11(18)13(20)17-16-12(19)8-2-4-10(15)5-3-8/h2-7H,1H3,(H,16,19)(H,17,20)
InChIKeyVSGIOXAJHMQPCF-UHFFFAOYSA-N
XLogP2.00
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.00
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'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
CID 18120355
4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 36626321
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24552605
4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
CID 24533060
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 17420156
4-bromo-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036807
4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 31293480
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 24533009
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide (CID 27036737) is 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is VSGIOXAJHMQPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O2/c1-18-7-9(14)6-11(18)13(20)17-16-12(19)8-2-4-10(15)5-3-8/h2-7H,1H3,(H,16,19)(H,17,20).
What are the key properties of 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 340.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 27036737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).