N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide

C24H24Cl2F6N2O2 — CID 23567643

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2F6N2O2/c25-20-2-1-15(11-21(20)26)19(5-8-34-6-3-18(35)4-7-34)22(36)33-13-14-9-16(23(27,28)29)12-17(10-14)24(30,31)32/h1-2,9-12,18-19,35H,3-8,13H2,(H,33,36)
InChIKeyGFBXXHZSEXORKW-UHFFFAOYSA-N
MW557.36 g/mol
LogP6.28
Rot. Bonds7

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide (PubChem CID 23567643) has the molecular formula C24H24Cl2F6N2O2 and a molecular weight of 557.36 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide
PubChem CID23567643
Molecular FormulaC24H24Cl2F6N2O2
Molecular Weight557.36 g/mol
Exact Mass556.11
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2F6N2O2/c25-20-2-1-15(11-21(20)26)19(5-8-34-6-3-18(35)4-7-34)22(36)33-13-14-9-16(23(27,28)29)12-17(10-14)24(30,31)32/h1-2,9-12,18-19,35H,3-8,13H2,(H,33,36)
InChIKeyGFBXXHZSEXORKW-UHFFFAOYSA-N
XLogP6.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.36
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide 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

(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(3-methyl-4-phenylpiperazin-1-yl)butanamide
CID 11844083
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-[2-(5-fluoro-1H-indol-3-yl)ethylamino]butanamide
CID 23567635
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(methylideneamino)-2-[2-(4-phenylpiperidin-1-yl)ethyl]but-3-enamide
CID 142892638
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-4-(4-phenylpiperidin-1-yl)butanamide
CID 58913251
acetic acid;N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 161003459
N-[1-(3,4-dichlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-3,5-bis(trifluoromethyl)benzamide
CID 44536888
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-[carbamimidoyl(iodo)amino]-1,3-thiazol-4-yl]-4-(4-phenylpiperidin-1-yl)butanamide
CID 142892646
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-pyridin-3-yl-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 58913440
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 10346048
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(cyclobuten-1-yl)-4-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]butanamide
CID 142892683
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-phenylacetamide
CID 22086513
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
CID 122181152

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide (CID 23567643) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide?
The InChIKey is GFBXXHZSEXORKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2F6N2O2/c25-20-2-1-15(11-21(20)26)19(5-8-34-6-3-18(35)4-7-34)22(36)33-13-14-9-16(23(27,28)29)12-17(10-14)24(30,31)32/h1-2,9-12,18-19,35H,3-8,13H2,(H,33,36).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide has a molecular weight of 557.36 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butanamide is sourced from PubChem (CID 23567643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).