2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

C14H11F3N2O3 — CID 112992005

IUPAC2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1F)NCc1ccco1
InChIInChI=1S/C14H11F3N2O3/c15-10-4-3-9(12(16)13(10)17)14(21)19-7-11(20)18-6-8-2-1-5-22-8/h1-5H,6-7H2,(H,18,20)(H,19,21)
InChIKeyLRPHWUKBZYMFOU-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.74
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 112992005) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID112992005
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1F)NCc1ccco1
InChIInChI=1S/C14H11F3N2O3/c15-10-4-3-9(12(16)13(10)17)14(21)19-7-11(20)18-6-8-2-1-5-22-8/h1-5H,6-7H2,(H,18,20)(H,19,21)
InChIKeyLRPHWUKBZYMFOU-UHFFFAOYSA-N
XLogP1.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011352
1-N-(furan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046656
4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 18150991
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (CID 112992005) is 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1F)NCc1ccco1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is LRPHWUKBZYMFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c15-10-4-3-9(12(16)13(10)17)14(21)19-7-11(20)18-6-8-2-1-5-22-8/h1-5H,6-7H2,(H,18,20)(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 312.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112992005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).