2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide

C15H7BrClF4N3O — CID 167748702

IUPAC2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide
SMILESN#Cc1ccc(NNC(=O)c2cc(Cl)cc(F)c2Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H7BrClF4N3O/c16-13-9(4-8(17)5-11(13)18)14(25)24-23-12-2-1-7(6-22)3-10(12)15(19,20)21/h1-5,23H,(H,24,25)
InChIKeyAKZWWNPIDBNYDL-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.89
Rot. Bonds3

About 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide

2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide (PubChem CID 167748702) has the molecular formula C15H7BrClF4N3O and a molecular weight of 436.59 g/mol. Its IUPAC name is 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide.

Molecular Properties

Compound Name2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide
PubChem CID167748702
Molecular FormulaC15H7BrClF4N3O
Molecular Weight436.59 g/mol
Exact Mass434.94
IUPAC Name2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide
SMILESN#Cc1ccc(NNC(=O)c2cc(Cl)cc(F)c2Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H7BrClF4N3O/c16-13-9(4-8(17)5-11(13)18)14(25)24-23-12-2-1-7(6-22)3-10(12)15(19,20)21/h1-5,23H,(H,24,25)
InChIKeyAKZWWNPIDBNYDL-UHFFFAOYSA-N
XLogP4.89
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
CID 139012323
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide
CID 139012294
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
CID 139012336
N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide
CID 139012317
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 60705604
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
methyl 3-[[4-cyano-2-(trifluoromethyl)anilino]methyl]-4-fluorobenzoate
CID 133449606
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
CID 4643198
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide?
The IUPAC name of 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide (CID 167748702) is 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide.
What is the SMILES notation for 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide?
The canonical SMILES for 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide is N#Cc1ccc(NNC(=O)c2cc(Cl)cc(F)c2Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide?
The InChIKey is AKZWWNPIDBNYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClF4N3O/c16-13-9(4-8(17)5-11(13)18)14(25)24-23-12-2-1-7(6-22)3-10(12)15(19,20)21/h1-5,23H,(H,24,25).
What are the key properties of 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide?
2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide has a molecular weight of 436.59 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide is sourced from PubChem (CID 167748702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).