5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C22H17Cl2F3N2O3 — CID 17117717

IUPAC5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H17Cl2F3N2O3/c23-15-3-1-2-14(20(15)24)18-6-7-19(32-18)21(30)28-16-12-13(22(25,26)27)4-5-17(16)29-8-10-31-11-9-29/h1-7,12H,8-11H2,(H,28,30)
InChIKeyKTUGLNWVTFLEBL-UHFFFAOYSA-N
MW485.29 g/mol
LogP6.36
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 17117717) has the molecular formula C22H17Cl2F3N2O3 and a molecular weight of 485.29 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID17117717
Molecular FormulaC22H17Cl2F3N2O3
Molecular Weight485.29 g/mol
Exact Mass484.06
IUPAC Name5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H17Cl2F3N2O3/c23-15-3-1-2-14(20(15)24)18-6-7-19(32-18)21(30)28-16-12-13(22(25,26)27)4-5-17(16)29-8-10-31-11-9-29/h1-7,12H,8-11H2,(H,28,30)
InChIKeyKTUGLNWVTFLEBL-UHFFFAOYSA-N
XLogP6.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.29
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
2-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 979258
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17319211
5-(3-chlorophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115725
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 851473

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 17117717) is 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is KTUGLNWVTFLEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O3/c23-15-3-1-2-14(20(15)24)18-6-7-19(32-18)21(30)28-16-12-13(22(25,26)27)4-5-17(16)29-8-10-31-11-9-29/h1-7,12H,8-11H2,(H,28,30).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 485.29 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17117717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).