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

C23H29BrN2O4 — CID 17350932

IUPAC5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C23H29BrN2O4/c1-15(2)11-12-29-21-10-7-18(24)13-20(21)23(28)26-25-22(27)17-5-8-19(9-6-17)30-14-16(3)4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyZZPIEXCKFIETMR-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.98
Rot. Bonds9

About 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (PubChem CID 17350932) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
PubChem CID17350932
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C23H29BrN2O4/c1-15(2)11-12-29-21-10-7-18(24)13-20(21)23(28)26-25-22(27)17-5-8-19(9-6-17)30-14-16(3)4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyZZPIEXCKFIETMR-UHFFFAOYSA-N
XLogP4.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.98
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

5-bromo-2-(3-methylbutoxy)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide
CID 17351237
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
5-bromo-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-2-propoxybenzamide
CID 17352443
5-bromo-2-butoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 17350631
5-bromo-N-[[(4-methoxybenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351166
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]acetamide
CID 17050985
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
N-[4-[[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 17350925
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17051053
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The IUPAC name of 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (CID 17350932) is 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The InChIKey is ZZPIEXCKFIETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-15(2)11-12-29-21-10-7-18(24)13-20(21)23(28)26-25-22(27)17-5-8-19(9-6-17)30-14-16(3)4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide has a molecular weight of 477.40 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 17350932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).