4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide

C13H14F4N2O2 — CID 115294569

IUPAC4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C13H14F4N2O2/c14-10-2-1-8(7-9(10)13(15,16)17)19-11(20)12(18)3-5-21-6-4-12/h1-2,7H,3-6,18H2,(H,19,20)
InChIKeyOBXYHUZRDHUBOX-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.29
Rot. Bonds2

About 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 115294569) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID115294569
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C13H14F4N2O2/c14-10-2-1-8(7-9(10)13(15,16)17)19-11(20)12(18)3-5-21-6-4-12/h1-2,7H,3-6,18H2,(H,19,20)
InChIKeyOBXYHUZRDHUBOX-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 65485523
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
CID 115293503
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 115294569) is 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide is NC1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is OBXYHUZRDHUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c14-10-2-1-8(7-9(10)13(15,16)17)19-11(20)12(18)3-5-21-6-4-12/h1-2,7H,3-6,18H2,(H,19,20).
What are the key properties of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 306.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 115294569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).