N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide

C14H15F3N2O4 — CID 97042537

IUPACN-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)CCO2)C(=O)NCC(F)(F)F
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)7-19-13(22)12(21)18-6-10(20)8-1-2-11-9(5-8)3-4-23-11/h1-2,5,10,20H,3-4,6-7H2,(H,18,21)(H,19,22)/t10-/m0/s1
InChIKeySTMHJHASPWURRT-JTQLQIEISA-N
MW332.28 g/mol
LogP0.45
Rot. Bonds4

About N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 97042537) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID97042537
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC NameN-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)CCO2)C(=O)NCC(F)(F)F
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)7-19-13(22)12(21)18-6-10(20)8-1-2-11-9(5-8)3-4-23-11/h1-2,5,10,20H,3-4,6-7H2,(H,18,21)(H,19,22)/t10-/m0/s1
InChIKeySTMHJHASPWURRT-JTQLQIEISA-N
XLogP0.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 50.45
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'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90580935
N'-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042531
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide
CID 90580925
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499
N'-(3-chloro-4-fluorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803503
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 124514997
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 90580828
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]adamantane-1-carboxamide
CID 97042470

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 97042537) is N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide is O=C(NC[C@H](O)c1ccc2c(c1)CCO2)C(=O)NCC(F)(F)F.
What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is STMHJHASPWURRT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)7-19-13(22)12(21)18-6-10(20)8-1-2-11-9(5-8)3-4-23-11/h1-2,5,10,20H,3-4,6-7H2,(H,18,21)(H,19,22)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 332.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 97042537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).