5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide

C14H19BrN2O4 — CID 17140952

IUPAC5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
SMILESCCOCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C
InChIInChI=1S/C14H19BrN2O4/c1-4-20-8-13(18)16-17-14(19)11-7-10(15)5-6-12(11)21-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBIEAENSVDLUVTL-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.03
Rot. Bonds6

About 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide

5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide (PubChem CID 17140952) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
PubChem CID17140952
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
SMILESCCOCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C
InChIInChI=1S/C14H19BrN2O4/c1-4-20-8-13(18)16-17-14(19)11-7-10(15)5-6-12(11)21-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBIEAENSVDLUVTL-UHFFFAOYSA-N
XLogP2.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.03
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-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051761
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17051072
5-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-methoxybenzamide
CID 17141042
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide (CID 17140952) is 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide is CCOCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C.
What is the InChIKey of 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide?
The InChIKey is BIEAENSVDLUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-4-20-8-13(18)16-17-14(19)11-7-10(15)5-6-12(11)21-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide?
5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide has a molecular weight of 359.22 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17140952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).