N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide

C15H13F3N2O4 — CID 99823870

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(N)=O
InChIInChI=1S/C15H13F3N2O4/c1-8(13(19)21)20-14(22)12-7-6-10(23-12)9-4-2-3-5-11(9)24-15(16,17)18/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m0/s1
InChIKeyUCTSHBJNBOIJFL-QMMMGPOBSA-N
MW342.27 g/mol
LogP2.45
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 99823870) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID99823870
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(N)=O
InChIInChI=1S/C15H13F3N2O4/c1-8(13(19)21)20-14(22)12-7-6-10(23-12)9-4-2-3-5-11(9)24-15(16,17)18/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m0/s1
InChIKeyUCTSHBJNBOIJFL-QMMMGPOBSA-N
XLogP2.45
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 99823870) is N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is UCTSHBJNBOIJFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c1-8(13(19)21)20-14(22)12-7-6-10(23-12)9-4-2-3-5-11(9)24-15(16,17)18/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 99823870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).