N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide

C23H23ClF3N3O3 — CID 153354322

IUPACN-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide
SMILESNC(=O)CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C23H23ClF3N3O3/c24-15-2-4-16(5-3-15)29-21(32)18(12-20(28)31)30-9-7-22(8-10-30)13-33-19-11-14(23(25,26)27)1-6-17(19)22/h1-6,11,18H,7-10,12-13H2,(H2,28,31)(H,29,32)
InChIKeyJFKMGKCPWRDBGR-UHFFFAOYSA-N
MW481.90 g/mol
LogP3.97
Rot. Bonds5

About N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide

N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide (PubChem CID 153354322) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide
PubChem CID153354322
Molecular FormulaC23H23ClF3N3O3
Molecular Weight481.90 g/mol
Exact Mass481.14
IUPAC NameN-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide
SMILESNC(=O)CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C23H23ClF3N3O3/c24-15-2-4-16(5-3-15)29-21(32)18(12-20(28)31)30-9-7-22(8-10-30)13-33-19-11-14(23(25,26)27)1-6-17(19)22/h1-6,11,18H,7-10,12-13H2,(H2,28,31)(H,29,32)
InChIKeyJFKMGKCPWRDBGR-UHFFFAOYSA-N
XLogP3.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide
CID 153354348
2-oxo-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]acetaldehyde
CID 139296092
N-(4-chlorophenyl)-2-[5-(trifluoromethyl)spiro[2H-furo[2,3-b]pyridine-3,4'-cyclohexane]-1'-yl]propanamide
CID 139533917
4-(4-chloroanilino)-4-oxo-3-piperidin-1-ylbutanoic acid
CID 2957775
(3S)-3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7247950
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
2-methyl-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl]propanoic acid
CID 139533883
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257992
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
(2R)-N-(4-methylphenyl)-2-[(1R,12S)-5-(trifluoromethyl)-8-oxatetracyclo[7.5.0.01,10.02,7]tetradeca-2(7),3,5-trien-12-yl]propanamide
CID 174006925

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide (CID 153354322) is N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide is NC(=O)CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CC1)COc1cc(C(F)(F)F)ccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide?
The InChIKey is JFKMGKCPWRDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3/c24-15-2-4-16(5-3-15)29-21(32)18(12-20(28)31)30-9-7-22(8-10-30)13-33-19-11-14(23(25,26)27)1-6-17(19)22/h1-6,11,18H,7-10,12-13H2,(H2,28,31)(H,29,32).
What are the key properties of N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide?
N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide has a molecular weight of 481.90 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide is sourced from PubChem (CID 153354322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).