N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide

C10H8F4N2O3 — CID 112551178

IUPACN-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESNC(=O)CONC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H8F4N2O3/c11-7-2-1-5(10(12,13)14)3-6(7)9(18)16-19-4-8(15)17/h1-3H,4H2,(H2,15,17)(H,16,18)
InChIKeyVAJWQTGQRVUULD-UHFFFAOYSA-N
MW280.18 g/mol
LogP0.99
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide

N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 112551178) has the molecular formula C10H8F4N2O3 and a molecular weight of 280.18 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID112551178
Molecular FormulaC10H8F4N2O3
Molecular Weight280.18 g/mol
Exact Mass280.05
IUPAC NameN-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESNC(=O)CONC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H8F4N2O3/c11-7-2-1-5(10(12,13)14)3-6(7)9(18)16-19-4-8(15)17/h1-3H,4H2,(H2,15,17)(H,16,18)
InChIKeyVAJWQTGQRVUULD-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 50.99
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

2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
CID 112551004
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
N-(2-amino-2-oxoethoxy)-5-fluoro-2-hydroxybenzamide
CID 112551215
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096
N-[2-(2-chloroethoxy)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 114297513
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide (CID 112551178) is N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide is NC(=O)CONC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is VAJWQTGQRVUULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O3/c11-7-2-1-5(10(12,13)14)3-6(7)9(18)16-19-4-8(15)17/h1-3H,4H2,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 280.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 112551178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).