N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide

C9H7F3N2O3 — CID 112619998

IUPACN-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
SMILESNC(=O)CONC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H7F3N2O3/c10-5-1-4(2-6(11)8(5)12)9(16)14-17-3-7(13)15/h1-2H,3H2,(H2,13,15)(H,14,16)
InChIKeyMXJRIORWKSIERC-UHFFFAOYSA-N
MW248.16 g/mol
LogP0.25
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide

N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide (PubChem CID 112619998) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
PubChem CID112619998
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC NameN-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
SMILESNC(=O)CONC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H7F3N2O3/c10-5-1-4(2-6(11)8(5)12)9(16)14-17-3-7(13)15/h1-2H,3H2,(H2,13,15)(H,14,16)
InChIKeyMXJRIORWKSIERC-UHFFFAOYSA-N
XLogP0.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
CID 112551004
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382
N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
N-(2-amino-2-oxoethoxy)-4-hydroxy-3-methylbenzamide
CID 103958323
N-(2-amino-2-oxoethoxy)-5-fluoro-2-hydroxybenzamide
CID 112551215
4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
CID 112674135
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
CID 112550764
N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
CID 103901221
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide (CID 112619998) is N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide is NC(=O)CONC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide?
The InChIKey is MXJRIORWKSIERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-5-1-4(2-6(11)8(5)12)9(16)14-17-3-7(13)15/h1-2H,3H2,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide?
N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide has a molecular weight of 248.16 g/mol, XLogP of 0.25, 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)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 112619998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).