2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide

C18H19Cl2NO2 — CID 90498520

IUPAC2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-18(23,10-9-13-5-3-2-4-6-13)12-21-17(22)15-11-14(19)7-8-16(15)20/h2-8,11,23H,9-10,12H2,1H3,(H,21,22)
InChIKeyOSPDDDPYQQUAOS-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.11
Rot. Bonds6

About 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide

2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide (PubChem CID 90498520) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
PubChem CID90498520
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-18(23,10-9-13-5-3-2-4-6-13)12-21-17(22)15-11-14(19)7-8-16(15)20/h2-8,11,23H,9-10,12H2,1H3,(H,21,22)
InChIKeyOSPDDDPYQQUAOS-UHFFFAOYSA-N
XLogP4.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-oxochromene-3-carboxamide
CID 90498518
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide (CID 90498520) is 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide is CC(O)(CCc1ccccc1)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The InChIKey is OSPDDDPYQQUAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-18(23,10-9-13-5-3-2-4-6-13)12-21-17(22)15-11-14(19)7-8-16(15)20/h2-8,11,23H,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide has a molecular weight of 352.26 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide is sourced from PubChem (CID 90498520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).