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

C14H10BrF3N2O3 — CID 3955420

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O3/c15-12-9-4-2-1-3-8(9)5-6-10(12)23-7-11(21)19-20-13(22)14(16,17)18/h1-6H,7H2,(H,19,21)(H,20,22)
InChIKeyRTIALSGUUVQTJG-UHFFFAOYSA-N
MW391.14 g/mol
LogP2.69
Rot. Bonds3

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

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide (PubChem CID 3955420) has the molecular formula C14H10BrF3N2O3 and a molecular weight of 391.14 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
PubChem CID3955420
Molecular FormulaC14H10BrF3N2O3
Molecular Weight391.14 g/mol
Exact Mass389.98
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O3/c15-12-9-4-2-1-3-8(9)5-6-10(12)23-7-11(21)19-20-13(22)14(16,17)18/h1-6H,7H2,(H,19,21)(H,20,22)
InChIKeyRTIALSGUUVQTJG-UHFFFAOYSA-N
XLogP2.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.14
LogP ≤ 52.69
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

methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513120
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3387456
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355590
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 3307862
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide (CID 3955420) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide is O=C(COc1ccc2ccccc2c1Br)NNC(=O)C(F)(F)F.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide?
The InChIKey is RTIALSGUUVQTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O3/c15-12-9-4-2-1-3-8(9)5-6-10(12)23-7-11(21)19-20-13(22)14(16,17)18/h1-6H,7H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide has a molecular weight of 391.14 g/mol, XLogP of 2.69, 3 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]-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 3955420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).