N'-(4-bromobenzoyl)-4-fluorobenzohydrazide

C14H10BrFN2O2 — CID 2709679

IUPACN'-(4-bromobenzoyl)-4-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20)
InChIKeyQTGKQUXDYZHTBP-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.66
Rot. Bonds2

About N'-(4-bromobenzoyl)-4-fluorobenzohydrazide

N'-(4-bromobenzoyl)-4-fluorobenzohydrazide (PubChem CID 2709679) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-4-fluorobenzohydrazide
PubChem CID2709679
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN'-(4-bromobenzoyl)-4-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20)
InChIKeyQTGKQUXDYZHTBP-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.66
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-bromobenzoyl)-2,6-difluorobenzohydrazide
CID 36702536
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24640870
[[4-(4-fluorophenyl)benzoyl]amino]urea
CID 23433295
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-4-fluorobenzohydrazide (CID 2709679) is N'-(4-bromobenzoyl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-4-fluorobenzohydrazide is O=C(NNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-4-fluorobenzohydrazide?
The InChIKey is QTGKQUXDYZHTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20).
What are the key properties of N'-(4-bromobenzoyl)-4-fluorobenzohydrazide?
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide has a molecular weight of 337.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-4-fluorobenzohydrazide is sourced from PubChem (CID 2709679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).