3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide

C19H21BrN2O3 — CID 4953482

IUPAC3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
SMILESCCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-4-14-6-9-16(10-7-14)25-13(3)18(23)21-22-19(24)15-8-5-12(2)17(20)11-15/h5-11,13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQENWEKASHLEKHV-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.55
Rot. Bonds5

About 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide

3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide (PubChem CID 4953482) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
PubChem CID4953482
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
SMILESCCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-4-14-6-9-16(10-7-14)25-13(3)18(23)21-22-19(24)15-8-5-12(2)17(20)11-15/h5-11,13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQENWEKASHLEKHV-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide 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'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-methylbenzamide
CID 17169512
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide (CID 4953482) is 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide is CCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide?
The InChIKey is QENWEKASHLEKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-4-14-6-9-16(10-7-14)25-13(3)18(23)21-22-19(24)15-8-5-12(2)17(20)11-15/h5-11,13H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide?
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide has a molecular weight of 405.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 4953482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).