N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide

C26H26Cl2N2O2 — CID 15434905

IUPACN-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H26Cl2N2O2/c27-22-12-11-20(17-23(22)28)24(18-29-25(31)19-7-3-1-4-8-19)30-15-13-26(32,14-16-30)21-9-5-2-6-10-21/h1-12,17,24,32H,13-16,18H2,(H,29,31)
InChIKeyNJFNGPHHPDOZHS-UHFFFAOYSA-N
MW469.41 g/mol
LogP5.45
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide

N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide (PubChem CID 15434905) has the molecular formula C26H26Cl2N2O2 and a molecular weight of 469.41 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide
PubChem CID15434905
Molecular FormulaC26H26Cl2N2O2
Molecular Weight469.41 g/mol
Exact Mass468.14
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H26Cl2N2O2/c27-22-12-11-20(17-23(22)28)24(18-29-25(31)19-7-3-1-4-8-19)30-15-13-26(32,14-16-30)21-9-5-2-6-10-21/h1-12,17,24,32H,13-16,18H2,(H,29,31)
InChIKeyNJFNGPHHPDOZHS-UHFFFAOYSA-N
XLogP5.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.41
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]piperidin-2-one
CID 21699577
N-{3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-3,5,N-trimethyl-benzamide
CID 44281977
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(4-chlorophenyl)methanone
CID 54587075
N-{3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-3,5-bis-trifluoromethyl-benzamide
CID 10394882
2-chloro-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57888747
4-chloro-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57888895
N-[(E)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-oxobut-2-en-2-yl]benzamide
CID 57888963
3-chloro-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57888966
N-(1-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-(methylthio)-1-oxobutan-2-yl)benzamide
CID 57889006
N-((R)-1-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl)benzamide
CID 57889679
N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57889796

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide (CID 15434905) is N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide is O=C(NCC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is NJFNGPHHPDOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O2/c27-22-12-11-20(17-23(22)28)24(18-29-25(31)19-7-3-1-4-8-19)30-15-13-26(32,14-16-30)21-9-5-2-6-10-21/h1-12,17,24,32H,13-16,18H2,(H,29,31).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide?
N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 469.41 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 15434905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).