3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide

C19H21BrN2O4 — CID 17140438

IUPAC3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O4/c1-12(2)11-26-15-6-4-5-13(9-15)18(23)21-22-19(24)14-7-8-17(25-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQUEWXGSNMNLDCO-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.57
Rot. Bonds6

About 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide

3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide (PubChem CID 17140438) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
PubChem CID17140438
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O4/c1-12(2)11-26-15-6-4-5-13(9-15)18(23)21-22-19(24)14-7-8-17(25-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQUEWXGSNMNLDCO-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982128
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17150222
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
CID 17342923
3-bromo-4-(2-methoxyethoxy)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17079943
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
N-[(2-bromo-4,5-dimethylphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 4585933
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
3-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17098423
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide?
The IUPAC name of 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide (CID 17140438) is 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide?
The InChIKey is QUEWXGSNMNLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-12(2)11-26-15-6-4-5-13(9-15)18(23)21-22-19(24)14-7-8-17(25-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide?
3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide has a molecular weight of 421.29 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 17140438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).