N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide

C19H13BrCl2N2O3 — CID 3367158

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13BrCl2N2O3/c20-18-13-4-2-1-3-11(13)5-8-16(18)27-10-17(25)23-24-19(26)14-7-6-12(21)9-15(14)22/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyYPTUIMNBLXCTOE-UHFFFAOYSA-N
MW468.13 g/mol
LogP4.75
Rot. Bonds4

About N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide (PubChem CID 3367158) has the molecular formula C19H13BrCl2N2O3 and a molecular weight of 468.13 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
PubChem CID3367158
Molecular FormulaC19H13BrCl2N2O3
Molecular Weight468.13 g/mol
Exact Mass465.95
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13BrCl2N2O3/c20-18-13-4-2-1-3-11(13)5-8-16(18)27-10-17(25)23-24-19(26)14-7-6-12(21)9-15(14)22/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyYPTUIMNBLXCTOE-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.13
LogP ≤ 54.75
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

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355590
N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-chlorobenzamide
CID 3547891
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
CID 17189044
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 4954463
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2,4-dichlorobenzamide
CID 4926378
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide (CID 3367158) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide is O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide?
The InChIKey is YPTUIMNBLXCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2N2O3/c20-18-13-4-2-1-3-11(13)5-8-16(18)27-10-17(25)23-24-19(26)14-7-6-12(21)9-15(14)22/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide has a molecular weight of 468.13 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 3367158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).