N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide

C19H21BrN2O4 — CID 17140443

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O4/c1-13(2)11-25-17-5-3-4-14(10-17)19(24)22-21-18(23)12-26-16-8-6-15(20)7-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZBUWPLCEAXXVPZ-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.32
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide (PubChem CID 17140443) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
PubChem CID17140443
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O4/c1-13(2)11-25-17-5-3-4-14(10-17)19(24)22-21-18(23)12-26-16-8-6-15(20)7-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZBUWPLCEAXXVPZ-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.32
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

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17140438
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-ethoxybenzamide
CID 4957810
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140789
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide (CID 17140443) is N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide is CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
The InChIKey is ZBUWPLCEAXXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-13(2)11-25-17-5-3-4-14(10-17)19(24)22-21-18(23)12-26-16-8-6-15(20)7-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide has a molecular weight of 421.29 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17140443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).