3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide

C20H17BrN2O3 — CID 4509301

IUPAC3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C20H17BrN2O3/c1-13-6-7-16(11-18(13)21)20(25)23-22-19(24)12-26-17-9-8-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBVXQFPXXPQPTCH-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.75
Rot. Bonds4

About 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide

3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide (PubChem CID 4509301) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
PubChem CID4509301
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C20H17BrN2O3/c1-13-6-7-16(11-18(13)21)20(25)23-22-19(24)12-26-17-9-8-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBVXQFPXXPQPTCH-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.75
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

4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
CID 17050926
3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 3108609
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-bromo-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17356074
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
N'-[2-(4-bromo-3-methylphenoxy)acetyl]naphthalene-1-carbohydrazide
CID 5210988
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
The IUPAC name of 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide (CID 4509301) is 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
The InChIKey is BVXQFPXXPQPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-13-6-7-16(11-18(13)21)20(25)23-22-19(24)12-26-17-9-8-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide has a molecular weight of 413.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide is sourced from PubChem (CID 4509301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).