N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide

C21H25Cl2NO2 — CID 69145454

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2NO2/c1-14(15-4-8-17(22)9-5-15)19(16-6-10-18(23)11-7-16)12-24-20(26)21(2,3)13-25/h4-11,14,19,25H,12-13H2,1-3H3,(H,24,26)
InChIKeyZUFROBFNIOTIOI-UHFFFAOYSA-N
MW394.34 g/mol
LogP5.02
Rot. Bonds7

About N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide

N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 69145454) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
PubChem CID69145454
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2NO2/c1-14(15-4-8-17(22)9-5-15)19(16-6-10-18(23)11-7-16)12-24-20(26)21(2,3)13-25/h4-11,14,19,25H,12-13H2,1-3H3,(H,24,26)
InChIKeyZUFROBFNIOTIOI-UHFFFAOYSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.34
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
CID 69147591
2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
CID 69145412
N-[2,3-bis(4-chlorophenyl)butyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 69145430
N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide
CID 69352127
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 69148173
N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 69148477
N-[2,3-bis(4-chlorophenyl)butyl]isoquinoline-8-carboxamide
CID 69377803
N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 69147345
N-[2,3-bis(4-chlorophenyl)butyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 69456114
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
CID 69331280
N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 69145531

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide (CID 69145454) is N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide is CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide?
The InChIKey is ZUFROBFNIOTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c1-14(15-4-8-17(22)9-5-15)19(16-6-10-18(23)11-7-16)12-24-20(26)21(2,3)13-25/h4-11,14,19,25H,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide?
N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 394.34 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 69145454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).