N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide

C15H11BrF2N2O3 — CID 7945561

IUPACN'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2N2O3/c16-11-6-4-9(5-7-11)13(21)19-20-14(22)10-2-1-3-12(8-10)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22)
InChIKeyTWUDVSXSBGASJH-UHFFFAOYSA-N
MW385.16 g/mol
LogP3.13
Rot. Bonds4

About N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide

N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide (PubChem CID 7945561) has the molecular formula C15H11BrF2N2O3 and a molecular weight of 385.16 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
PubChem CID7945561
Molecular FormulaC15H11BrF2N2O3
Molecular Weight385.16 g/mol
Exact Mass383.99
IUPAC NameN'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2N2O3/c16-11-6-4-9(5-7-11)13(21)19-20-14(22)10-2-1-3-12(8-10)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22)
InChIKeyTWUDVSXSBGASJH-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 53.13
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

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CID 26187379
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3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
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CID 35064242
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846150

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide (CID 7945561) is N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide is O=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide?
The InChIKey is TWUDVSXSBGASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O3/c16-11-6-4-9(5-7-11)13(21)19-20-14(22)10-2-1-3-12(8-10)23-15(17)18/h1-8,15H,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide?
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide has a molecular weight of 385.16 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide is sourced from PubChem (CID 7945561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).