N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide

C21H19BrN2O3 — CID 3397636

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)ccc1Br
InChIInChI=1S/C21H19BrN2O3/c1-14-11-17(9-10-19(14)22)27-13-21(26)24-23-20(25)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyKSJUGZXBNYCXJT-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.68
Rot. Bonds5

About N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide (PubChem CID 3397636) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
PubChem CID3397636
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)ccc1Br
InChIInChI=1S/C21H19BrN2O3/c1-14-11-17(9-10-19(14)22)27-13-21(26)24-23-20(25)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyKSJUGZXBNYCXJT-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-3-methylphenoxy)acetyl]naphthalene-1-carbohydrazide
CID 5210988
N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 17428422
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
tert-butyl N-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamate
CID 17385948
N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922762
N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 3480178
2-(2-bromo-4-methylphenoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]acetamide
CID 4504606

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide (CID 3397636) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide is Cc1cc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)ccc1Br.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
The InChIKey is KSJUGZXBNYCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-14-11-17(9-10-19(14)22)27-13-21(26)24-23-20(25)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide has a molecular weight of 427.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide is sourced from PubChem (CID 3397636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).