N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide

C24H26ClF3N2O2 — CID 153354348

IUPACN-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C24H26ClF3N2O2/c1-2-20(22(31)29-18-6-4-17(25)5-7-18)30-12-9-23(10-13-30)11-14-32-21-15-16(24(26,27)28)3-8-19(21)23/h3-8,15,20H,2,9-14H2,1H3,(H,29,31)
InChIKeyDAWSINFMEXSXDH-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.89
Rot. Bonds4

About N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide

N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide (PubChem CID 153354348) has the molecular formula C24H26ClF3N2O2 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide
PubChem CID153354348
Molecular FormulaC24H26ClF3N2O2
Molecular Weight466.93 g/mol
Exact Mass466.16
IUPAC NameN-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C24H26ClF3N2O2/c1-2-20(22(31)29-18-6-4-17(25)5-7-18)30-12-9-23(10-13-30)11-14-32-21-15-16(24(26,27)28)3-8-19(21)23/h3-8,15,20H,2,9-14H2,1H3,(H,29,31)
InChIKeyDAWSINFMEXSXDH-UHFFFAOYSA-N
XLogP5.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanediamide
CID 153354322
N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide
CID 131943109
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
(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide
CID 92632105
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
(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
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
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
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide (CID 153354348) is N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide is CCC(C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCOc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide?
The InChIKey is DAWSINFMEXSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N2O2/c1-2-20(22(31)29-18-6-4-17(25)5-7-18)30-12-9-23(10-13-30)11-14-32-21-15-16(24(26,27)28)3-8-19(21)23/h3-8,15,20H,2,9-14H2,1H3,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide?
N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide has a molecular weight of 466.93 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide is sourced from PubChem (CID 153354348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).