4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide

C12H13F3N2O2 — CID 115293503

IUPAC4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(F)c(F)c2F)CCOCC1
InChIInChI=1S/C12H13F3N2O2/c13-7-1-2-8(10(15)9(7)14)17-11(18)12(16)3-5-19-6-4-12/h1-2H,3-6,16H2,(H,17,18)
InChIKeyBYVPFRNQFRDTSI-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.55
Rot. Bonds2

About 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide

4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide (PubChem CID 115293503) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
PubChem CID115293503
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(F)c(F)c2F)CCOCC1
InChIInChI=1S/C12H13F3N2O2/c13-7-1-2-8(10(15)9(7)14)17-11(18)12(16)3-5-19-6-4-12/h1-2H,3-6,16H2,(H,17,18)
InChIKeyBYVPFRNQFRDTSI-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
CID 115295152
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide (CID 115293503) is 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide is NC1(C(=O)Nc2ccc(F)c(F)c2F)CCOCC1.
What is the InChIKey of 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide?
The InChIKey is BYVPFRNQFRDTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-7-1-2-8(10(15)9(7)14)17-11(18)12(16)3-5-19-6-4-12/h1-2H,3-6,16H2,(H,17,18).
What are the key properties of 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide?
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115293503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).