N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide

C15H13F3N2O4 — CID 111799149

IUPACN'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC(CO)c1ccco1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)9-3-5-10(6-4-9)19-13(22)14(23)20-11(8-21)12-2-1-7-24-12/h1-7,11,21H,8H2,(H,19,22)(H,20,23)
InChIKeyCPIMKNZFCLJXJY-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.09
Rot. Bonds4

About N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide

N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 111799149) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID111799149
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC NameN'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC(CO)c1ccco1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)9-3-5-10(6-4-9)19-13(22)14(23)20-11(8-21)12-2-1-7-24-12/h1-7,11,21H,8H2,(H,19,22)(H,20,23)
InChIKeyCPIMKNZFCLJXJY-UHFFFAOYSA-N
XLogP2.09
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide
CID 111799107
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 86996641
2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide (CID 111799149) is N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC(CO)c1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is CPIMKNZFCLJXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c16-15(17,18)9-3-5-10(6-4-9)19-13(22)14(23)20-11(8-21)12-2-1-7-24-12/h1-7,11,21H,8H2,(H,19,22)(H,20,23).
What are the key properties of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 342.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 111799149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).