N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide

C14H8BrCl2FN2O2 — CID 46652348

IUPACN'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2FN2O2/c15-9-4-2-1-3-7(9)13(21)19-20-14(22)8-5-12(18)11(17)6-10(8)16/h1-6H,(H,19,21)(H,20,22)
InChIKeySUMSCPMBMYMEQK-UHFFFAOYSA-N
MW406.04 g/mol
LogP3.97
Rot. Bonds2

About N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide

N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide (PubChem CID 46652348) has the molecular formula C14H8BrCl2FN2O2 and a molecular weight of 406.04 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide
PubChem CID46652348
Molecular FormulaC14H8BrCl2FN2O2
Molecular Weight406.04 g/mol
Exact Mass403.91
IUPAC NameN'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2FN2O2/c15-9-4-2-1-3-7(9)13(21)19-20-14(22)8-5-12(18)11(17)6-10(8)16/h1-6H,(H,19,21)(H,20,22)
InChIKeySUMSCPMBMYMEQK-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.04
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
CID 27672192
2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide
CID 103598513
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 46656994
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
CID 9037806

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide (CID 46652348) is N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide is O=C(NNC(=O)c1ccccc1Br)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide?
The InChIKey is SUMSCPMBMYMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FN2O2/c15-9-4-2-1-3-7(9)13(21)19-20-14(22)8-5-12(18)11(17)6-10(8)16/h1-6H,(H,19,21)(H,20,22).
What are the key properties of N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide?
N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide has a molecular weight of 406.04 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide is sourced from PubChem (CID 46652348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).