5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

C19H12ClF3N2O3 — CID 27895424

IUPAC5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12ClF3N2O3/c20-11-4-2-1-3-10(11)14-7-8-15(28-14)19(27)24-9-16(26)25-13-6-5-12(21)17(22)18(13)23/h1-8H,9H2,(H,24,27)(H,25,26)
InChIKeyNMFRYWAOUYPQGT-UHFFFAOYSA-N
MW408.76 g/mol
LogP4.39
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide (PubChem CID 27895424) has the molecular formula C19H12ClF3N2O3 and a molecular weight of 408.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
PubChem CID27895424
Molecular FormulaC19H12ClF3N2O3
Molecular Weight408.76 g/mol
Exact Mass408.05
IUPAC Name5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12ClF3N2O3/c20-11-4-2-1-3-10(11)14-7-8-15(28-14)19(27)24-9-16(26)25-13-6-5-12(21)17(22)18(13)23/h1-8H,9H2,(H,24,27)(H,25,26)
InChIKeyNMFRYWAOUYPQGT-UHFFFAOYSA-N
XLogP4.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.76
LogP ≤ 54.39
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

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 43026763
5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 17472963
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16596029
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 27812757
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 43029737
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide (CID 27895424) is 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The InChIKey is NMFRYWAOUYPQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O3/c20-11-4-2-1-3-10(11)14-7-8-15(28-14)19(27)24-9-16(26)25-13-6-5-12(21)17(22)18(13)23/h1-8H,9H2,(H,24,27)(H,25,26).
What are the key properties of 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide has a molecular weight of 408.76 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 27895424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).