N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H14ClF4N3O3 — CID 52690705

IUPACN-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClF4N3O3/c21-14-9-12(3-5-15(14)22)27-18(29)10-26-16-6-4-11(8-13(16)20(23,24)25)28-19(30)17-2-1-7-31-17/h1-9,26H,10H2,(H,27,29)(H,28,30)
InChIKeyWRJRUWGWQSSKQB-UHFFFAOYSA-N
MW455.80 g/mol
LogP5.39
Rot. Bonds6

About N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 52690705) has the molecular formula C20H14ClF4N3O3 and a molecular weight of 455.80 g/mol. Its IUPAC name is N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID52690705
Molecular FormulaC20H14ClF4N3O3
Molecular Weight455.80 g/mol
Exact Mass455.07
IUPAC NameN-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClF4N3O3/c21-14-9-12(3-5-15(14)22)27-18(29)10-26-16-6-4-11(8-13(16)20(23,24)25)28-19(30)17-2-1-7-31-17/h1-9,26H,10H2,(H,27,29)(H,28,30)
InChIKeyWRJRUWGWQSSKQB-UHFFFAOYSA-N
XLogP5.39
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.80
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062355
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 52690705) is N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is WRJRUWGWQSSKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4N3O3/c21-14-9-12(3-5-15(14)22)27-18(29)10-26-16-6-4-11(8-13(16)20(23,24)25)28-19(30)17-2-1-7-31-17/h1-9,26H,10H2,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 455.80 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 52690705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).