(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide

C18H16BrClN2O3 — CID 6170411

IUPAC(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H16BrClN2O3/c1-12-2-4-13(5-3-12)6-9-17(23)21-22-18(24)11-25-16-8-7-14(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,23)(H,22,24)/b9-6+
InChIKeyBGHOHFLGRSNSQR-RMKNXTFCSA-N
MW423.69 g/mol
LogP3.65
Rot. Bonds5

About (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide

(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 6170411) has the molecular formula C18H16BrClN2O3 and a molecular weight of 423.69 g/mol. Its IUPAC name is (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
PubChem CID6170411
Molecular FormulaC18H16BrClN2O3
Molecular Weight423.69 g/mol
Exact Mass422.00
IUPAC Name(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H16BrClN2O3/c1-12-2-4-13(5-3-12)6-9-17(23)21-22-18(24)11-25-16-8-7-14(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,23)(H,22,24)/b9-6+
InChIKeyBGHOHFLGRSNSQR-RMKNXTFCSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.69
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide 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-(4-bromo-2-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 4632407
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 4922426
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 78573422
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 3253187
(E)-N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 6232718
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121077
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121079

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (CID 6170411) is (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is BGHOHFLGRSNSQR-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H16BrClN2O3/c1-12-2-4-13(5-3-12)6-9-17(23)21-22-18(24)11-25-16-8-7-14(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,23)(H,22,24)/b9-6+.
What are the key properties of (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide has a molecular weight of 423.69 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 6170411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).