N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide

C15H12F3N3O4 — CID 55648350

IUPACN-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F3N3O4/c16-9-1-2-10(14(18)13(9)17)21-12(23)6-19-11(22)5-20-15(24)8-3-4-25-7-8/h1-4,7H,5-6H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyCGOLPWRNMVZFNH-UHFFFAOYSA-N
MW355.27 g/mol
LogP1.18
Rot. Bonds6

About N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide

N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide (PubChem CID 55648350) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
PubChem CID55648350
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC NameN-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F3N3O4/c16-9-1-2-10(14(18)13(9)17)21-12(23)6-19-11(22)5-20-15(24)8-3-4-25-7-8/h1-4,7H,5-6H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyCGOLPWRNMVZFNH-UHFFFAOYSA-N
XLogP1.18
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
CID 26676496
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
CID 166201937
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
CID 38764774
3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
N-[3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propyl]thiophene-3-carboxamide
CID 27813046
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
CID 46431023
4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812929
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 27813023
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide (CID 55648350) is N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide is O=C(CNC(=O)c1ccoc1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide?
The InChIKey is CGOLPWRNMVZFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c16-9-1-2-10(14(18)13(9)17)21-12(23)6-19-11(22)5-20-15(24)8-3-4-25-7-8/h1-4,7H,5-6H2,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide?
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55648350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).