2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide

C10H10ClF3N2O3 — CID 106686322

IUPAC2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C10H10ClF3N2O3/c1-16(4-7(17)15-5-10(12,13)14)9(18)6-2-3-19-8(6)11/h2-3H,4-5H2,1H3,(H,15,17)
InChIKeyZWASIUYWYWMJFO-UHFFFAOYSA-N
MW298.65 g/mol
LogP1.68
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide

2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide (PubChem CID 106686322) has the molecular formula C10H10ClF3N2O3 and a molecular weight of 298.65 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
PubChem CID106686322
Molecular FormulaC10H10ClF3N2O3
Molecular Weight298.65 g/mol
Exact Mass298.03
IUPAC Name2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C10H10ClF3N2O3/c1-16(4-7(17)15-5-10(12,13)14)9(18)6-2-3-19-8(6)11/h2-3H,4-5H2,1H3,(H,15,17)
InChIKeyZWASIUYWYWMJFO-UHFFFAOYSA-N
XLogP1.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)furan-3-carboxamide hydrochloride
CID 45792225
N-[1-oxo-1-(propylamino)propan-2-yl]furan-3-carboxamide
CID 45859689
N-[3-oxo-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propyl]furan-3-carboxamide
CID 53548156
N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 93616892
N-[(2S)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94825824
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 34830478
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
CID 38024324
N-[3-[2,2-difluoroethyl(propyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47088476
N-[1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47088546
N-(2-aminoethyl)-4-(trifluoromethyl)furan-3-carboxamide
CID 60165447
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide (CID 106686322) is 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide?
The InChIKey is ZWASIUYWYWMJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O3/c1-16(4-7(17)15-5-10(12,13)14)9(18)6-2-3-19-8(6)11/h2-3H,4-5H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide?
2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide has a molecular weight of 298.65 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106686322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).