2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide

C19H21BrN2O3 — CID 4981868

IUPAC2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-13(2)10-11-25-15-7-5-6-14(12-15)18(23)21-22-19(24)16-8-3-4-9-17(16)20/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKFWYKFYDMCFGMO-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.95
Rot. Bonds6

About 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide

2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide (PubChem CID 4981868) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
PubChem CID4981868
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-13(2)10-11-25-15-7-5-6-14(12-15)18(23)21-22-19(24)16-8-3-4-9-17(16)20/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKFWYKFYDMCFGMO-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4981659
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982128
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
CID 4981787
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-ethoxybenzamide
CID 4957845
N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
CID 54784402
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide (CID 4981868) is 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide is CC(C)CCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide?
The InChIKey is KFWYKFYDMCFGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-13(2)10-11-25-15-7-5-6-14(12-15)18(23)21-22-19(24)16-8-3-4-9-17(16)20/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide?
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide has a molecular weight of 405.29 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4981868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).