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

C20H23BrN2O4 — CID 17140458

IUPACN'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)11-26-17-6-4-5-15(10-17)20(25)23-22-19(24)12-27-18-8-7-16(21)9-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKUGGBAXDHCEPMF-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.63
Rot. Bonds7

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

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide (PubChem CID 17140458) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
PubChem CID17140458
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)11-26-17-6-4-5-15(10-17)20(25)23-22-19(24)12-27-18-8-7-16(21)9-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKUGGBAXDHCEPMF-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.63
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]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140789
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140749
3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17140438
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142573
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 1047378

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide (CID 17140458) is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
The InChIKey is KUGGBAXDHCEPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13(2)11-26-17-6-4-5-15(10-17)20(25)23-22-19(24)12-27-18-8-7-16(21)9-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide?
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17140458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).