2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C11H12ClF3N2O3 — CID 106686332

IUPAC2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H12ClF3N2O3/c1-16(2)8(18)5-17(6-11(13,14)15)10(19)7-3-4-20-9(7)12/h3-4H,5-6H2,1-2H3
InChIKeyAZLGSCRDLSUUGH-UHFFFAOYSA-N
MW312.68 g/mol
LogP2.03
Rot. Bonds4

About 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106686332) has the molecular formula C11H12ClF3N2O3 and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106686332
Molecular FormulaC11H12ClF3N2O3
Molecular Weight312.68 g/mol
Exact Mass312.05
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H12ClF3N2O3/c1-16(2)8(18)5-17(6-11(13,14)15)10(19)7-3-4-20-9(7)12/h3-4H,5-6H2,1-2H3
InChIKeyAZLGSCRDLSUUGH-UHFFFAOYSA-N
XLogP2.03
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94825824
N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 126777051
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
CID 38024324
Furan-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 45802490
N-[1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47088546
N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 78863888
N-butyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 78867595
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 78877799
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87016344
N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94825823
1-(2-Chlorofuran-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106683467

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106686332) is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is AZLGSCRDLSUUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3/c1-16(2)8(18)5-17(6-11(13,14)15)10(19)7-3-4-20-9(7)12/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 312.68 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106686332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).