5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide

C16H23BrN2O4 — CID 17051072

IUPAC5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C
InChIInChI=1S/C16H23BrN2O4/c1-4-22-8-7-15(20)18-19-16(21)13-9-12(17)5-6-14(13)23-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHHHJSSBWUHJSHC-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.67
Rot. Bonds8

About 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide

5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide (PubChem CID 17051072) has the molecular formula C16H23BrN2O4 and a molecular weight of 387.27 g/mol. Its IUPAC name is 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
PubChem CID17051072
Molecular FormulaC16H23BrN2O4
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C
InChIInChI=1S/C16H23BrN2O4/c1-4-22-8-7-15(20)18-19-16(21)13-9-12(17)5-6-14(13)23-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHHHJSSBWUHJSHC-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17357941
5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17358076
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
4-[2-[5-bromo-2-(2-methylpropoxy)benzoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17051020
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
CID 17140952
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]acetamide
CID 17050985
5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17050976
5-bromo-N-(methylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17051257
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17051053
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide (CID 17051072) is 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide is CCOCCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C.
What is the InChIKey of 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
The InChIKey is HHHJSSBWUHJSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O4/c1-4-22-8-7-15(20)18-19-16(21)13-9-12(17)5-6-14(13)23-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide has a molecular weight of 387.27 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17051072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).