5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H14ClF3N2O4 — CID 26062355

IUPAC5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C23H14ClF3N2O4/c24-16-5-2-1-4-14(16)18-9-10-20(33-18)22(31)29-17-8-7-13(12-15(17)23(25,26)27)28-21(30)19-6-3-11-32-19/h1-12H,(H,28,30)(H,29,31)
InChIKeyUPOGVIWRMPKOKH-UHFFFAOYSA-N
MW474.82 g/mol
LogP6.72
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 26062355) has the molecular formula C23H14ClF3N2O4 and a molecular weight of 474.82 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID26062355
Molecular FormulaC23H14ClF3N2O4
Molecular Weight474.82 g/mol
Exact Mass474.06
IUPAC Name5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C23H14ClF3N2O4/c24-16-5-2-1-4-14(16)18-9-10-20(33-18)22(31)29-17-8-7-13(12-15(17)23(25,26)27)28-21(30)19-6-3-11-32-19/h1-12H,(H,28,30)(H,29,31)
InChIKeyUPOGVIWRMPKOKH-UHFFFAOYSA-N
XLogP6.72
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871867
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500795
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-[4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062195
N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698448
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 52690705

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 26062355) is 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is UPOGVIWRMPKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N2O4/c24-16-5-2-1-4-14(16)18-9-10-20(33-18)22(31)29-17-8-7-13(12-15(17)23(25,26)27)28-21(30)19-6-3-11-32-19/h1-12H,(H,28,30)(H,29,31).
What are the key properties of 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 474.82 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 26062355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).