5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide

C21H25BrN2O3 — CID 17343483

IUPAC5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C21H25BrN2O3/c1-3-4-5-8-13-27-19-12-11-16(22)14-18(19)21(26)24-23-20(25)17-10-7-6-9-15(17)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJMEUCXIZVOZHPG-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.79
Rot. Bonds8

About 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide

5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide (PubChem CID 17343483) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
PubChem CID17343483
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C21H25BrN2O3/c1-3-4-5-8-13-27-19-12-11-16(22)14-18(19)21(26)24-23-20(25)17-10-7-6-9-15(17)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJMEUCXIZVOZHPG-UHFFFAOYSA-N
XLogP4.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478
5-bromo-2-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 17343868
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
CID 17351725
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-2-nonoxybenzoic acid
CID 43129492
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
4-[2-(5-bromo-2-hexoxybenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17343509
5-bromo-N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351164
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide (CID 17343483) is 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide is CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1C.
What is the InChIKey of 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide?
The InChIKey is JMEUCXIZVOZHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-3-4-5-8-13-27-19-12-11-16(22)14-18(19)21(26)24-23-20(25)17-10-7-6-9-15(17)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide?
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide has a molecular weight of 433.35 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 17343483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).