N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide

C23H20BrClN2O4 — CID 17134531

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C23H20BrClN2O4/c24-18-9-10-21(20(25)14-18)31-15-22(28)26-27-23(29)17-7-4-8-19(13-17)30-12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,26,28)(H,27,29)
InChIKeyQHXBQUYSNPDPLY-UHFFFAOYSA-N
MW503.78 g/mol
LogP4.56
Rot. Bonds8

About N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide (PubChem CID 17134531) has the molecular formula C23H20BrClN2O4 and a molecular weight of 503.78 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
PubChem CID17134531
Molecular FormulaC23H20BrClN2O4
Molecular Weight503.78 g/mol
Exact Mass502.03
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C23H20BrClN2O4/c24-18-9-10-21(20(25)14-18)31-15-22(28)26-27-23(29)17-7-4-8-19(13-17)30-12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,26,28)(H,27,29)
InChIKeyQHXBQUYSNPDPLY-UHFFFAOYSA-N
XLogP4.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.78
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide 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-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134842
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134864
3-phenylpropyl 5-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-5-oxopentanoate
CID 4924066
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140789

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide (CID 17134531) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide is O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The InChIKey is QHXBQUYSNPDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrClN2O4/c24-18-9-10-21(20(25)14-18)31-15-22(28)26-27-23(29)17-7-4-8-19(13-17)30-12-11-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide has a molecular weight of 503.78 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17134531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).