N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide

C16H12BrClFN3O2 — CID 43948408

IUPACN-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C16H12BrClFN3O2/c17-11-6-4-10(5-7-11)8-21-22-14(23)9-20-16(24)15-12(18)2-1-3-13(15)19/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8+
InChIKeyVUAHOERYIKAZDY-ODCIPOBUSA-N
MW412.65 g/mol
LogP3.12
Rot. Bonds5

About N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide

N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide (PubChem CID 43948408) has the molecular formula C16H12BrClFN3O2 and a molecular weight of 412.65 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide
PubChem CID43948408
Molecular FormulaC16H12BrClFN3O2
Molecular Weight412.65 g/mol
Exact Mass410.98
IUPAC NameN-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C16H12BrClFN3O2/c17-11-6-4-10(5-7-11)8-21-22-14(23)9-20-16(24)15-12(18)2-1-3-13(15)19/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8+
InChIKeyVUAHOERYIKAZDY-ODCIPOBUSA-N
XLogP3.12
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide 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

2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
CID 4171005
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 43948519
N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
CID 55979616
2-chloro-N-[2-[(2Z)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6153463
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
3-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3258784
2,4-dichloro-N-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4131259
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-2,4-dichlorobenzamide
CID 5031566
2-chloro-N-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3125178
[4-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117349

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide (CID 43948408) is N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide is O=C(CNC(=O)c1c(F)cccc1Cl)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is VUAHOERYIKAZDY-ODCIPOBUSA-N. The full InChI is InChI=1S/C16H12BrClFN3O2/c17-11-6-4-10(5-7-11)8-21-22-14(23)9-20-16(24)15-12(18)2-1-3-13(15)19/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8+.
What are the key properties of N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide?
N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 412.65 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 43948408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).