4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide

C14H12BrF2N3O3 — CID 31293480

IUPAC4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H12BrF2N3O3/c1-20-7-8(15)6-10(20)13(22)19-18-12(21)9-4-2-3-5-11(9)23-14(16)17/h2-7,14H,1H3,(H,18,21)(H,19,22)
InChIKeyDICWMGAFABPKBQ-UHFFFAOYSA-N
MW388.17 g/mol
LogP2.46
Rot. Bonds4

About 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 31293480) has the molecular formula C14H12BrF2N3O3 and a molecular weight of 388.17 g/mol. Its IUPAC name is 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID31293480
Molecular FormulaC14H12BrF2N3O3
Molecular Weight388.17 g/mol
Exact Mass387.00
IUPAC Name4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H12BrF2N3O3/c1-20-7-8(15)6-10(20)13(22)19-18-12(21)9-4-2-3-5-11(9)23-14(16)17/h2-7,14H,1H3,(H,18,21)(H,19,22)
InChIKeyDICWMGAFABPKBQ-UHFFFAOYSA-N
XLogP2.46
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 52.46
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

4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24532975
N'-[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]-4-bromo-1-methylpyrrole-2-carbohydrazide
CID 27037215
4-bromo-1-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 31315212
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
CID 24552609
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037306
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
CID 19297512
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 87008601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide (CID 31293480) is 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is DICWMGAFABPKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O3/c1-20-7-8(15)6-10(20)13(22)19-18-12(21)9-4-2-3-5-11(9)23-14(16)17/h2-7,14H,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 388.17 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 31293480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).