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

C12H12F4N2O2 — CID 66235449

IUPAC4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4N2O2/c13-9-2-1-6(3-8(9)12(14,15)16)18-11(19)7-4-20-5-10(7)17/h1-3,7,10H,4-5,17H2,(H,18,19)
InChIKeySANAOTMTWACMHD-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.76
Rot. Bonds2

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

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 66235449) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
PubChem CID66235449
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Name4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4N2O2/c13-9-2-1-6(3-8(9)12(14,15)16)18-11(19)7-4-20-5-10(7)17/h1-3,7,10H,4-5,17H2,(H,18,19)
InChIKeySANAOTMTWACMHD-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 163396148
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
CID 107336426
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (CID 66235449) is 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is SANAOTMTWACMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-9-2-1-6(3-8(9)12(14,15)16)18-11(19)7-4-20-5-10(7)17/h1-3,7,10H,4-5,17H2,(H,18,19).
What are the key properties of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 292.23 g/mol, XLogP of 1.76, 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]oxolane-3-carboxamide is sourced from PubChem (CID 66235449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).