2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C12H15ClF3NO3 — CID 106686312

IUPAC2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C12H15ClF3NO3/c1-2-19-6-3-5-17(8-12(14,15)16)11(18)9-4-7-20-10(9)13/h4,7H,2-3,5-6,8H2,1H3
InChIKeyROLGIIWMLXCFRW-UHFFFAOYSA-N
MW313.70 g/mol
LogP3.36
Rot. Bonds7

About 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106686312) has the molecular formula C12H15ClF3NO3 and a molecular weight of 313.70 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106686312
Molecular FormulaC12H15ClF3NO3
Molecular Weight313.70 g/mol
Exact Mass313.07
IUPAC Name2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1ccoc1Cl
InChIInChI=1S/C12H15ClF3NO3/c1-2-19-6-3-5-17(8-12(14,15)16)11(18)9-4-7-20-10(9)13/h4,7H,2-3,5-6,8H2,1H3
InChIKeyROLGIIWMLXCFRW-UHFFFAOYSA-N
XLogP3.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-3-furancarboxamide
CID 10702238
N-(2-methoxyethyl)-N-prop-2-enylfuran-3-carboxamide
CID 91662557
N-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 126777051
Furan-3-yl-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 126780045
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
Furan-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 45802490
2,2,2-trifluoro-N-(furan-3-ylmethyl)-N-methylacetamide
CID 62726739
N-cyclopentyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 71862739
[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 71864392
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106686312) is 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is ROLGIIWMLXCFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO3/c1-2-19-6-3-5-17(8-12(14,15)16)11(18)9-4-7-20-10(9)13/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 313.70 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106686312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).