4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide

C15H12BrFN2O2 — CID 9086771

IUPAC4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H12BrFN2O2/c1-9-2-4-10(5-3-9)14(20)18-19-15(21)12-7-6-11(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyVDSSUQXGNQWDPC-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.97
Rot. Bonds2

About 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide

4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 9086771) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID9086771
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H12BrFN2O2/c1-9-2-4-10(5-3-9)14(20)18-19-15(21)12-7-6-11(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyVDSSUQXGNQWDPC-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-chloro-N'-(4-chlorobenzoyl)-2-fluorobenzohydrazide
CID 9075928
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091418
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide (CID 9086771) is 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is VDSSUQXGNQWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-9-2-4-10(5-3-9)14(20)18-19-15(21)12-7-6-11(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide?
4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 351.18 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 9086771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).