3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide

C20H23BrN2O4 — CID 17339553

IUPAC3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)10-11-27-18-9-8-14(12-16(18)21)19(24)22-23-20(25)15-6-4-5-7-17(15)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQBLBUXPKHXJJFG-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.96
Rot. Bonds7

About 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide

3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide (PubChem CID 17339553) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
PubChem CID17339553
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)10-11-27-18-9-8-14(12-16(18)21)19(24)22-23-20(25)15-6-4-5-7-17(15)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQBLBUXPKHXJJFG-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.96
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'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
3-bromo-4-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17339504
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
3-bromo-4-(3-methylbutoxy)-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17339571
3-bromo-N-[[(4-methylbenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17339796
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982128
3-bromo-4-(3-methylbutoxy)-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17339613
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide (CID 17339553) is 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide is COc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is QBLBUXPKHXJJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13(2)10-11-27-18-9-8-14(12-16(18)21)19(24)22-23-20(25)15-6-4-5-7-17(15)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide?
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 17339553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).