2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide

C26H25Cl2F2NO2 — CID 69145412

IUPAC2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C26H25Cl2F2NO2/c1-16(17-4-6-19(27)7-5-17)24(18-12-21(29)14-22(30)13-18)15-31-25(32)26(2,3)33-23-10-8-20(28)9-11-23/h4-14,16,24H,15H2,1-3H3,(H,31,32)
InChIKeyUYZYGZOUTFKZMF-UHFFFAOYSA-N
MW492.39 g/mol
LogP7.13
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide (PubChem CID 69145412) has the molecular formula C26H25Cl2F2NO2 and a molecular weight of 492.39 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
PubChem CID69145412
Molecular FormulaC26H25Cl2F2NO2
Molecular Weight492.39 g/mol
Exact Mass491.12
IUPAC Name2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C26H25Cl2F2NO2/c1-16(17-4-6-19(27)7-5-17)24(18-12-21(29)14-22(30)13-18)15-31-25(32)26(2,3)33-23-10-8-20(28)9-11-23/h4-14,16,24H,15H2,1-3H3,(H,31,32)
InChIKeyUYZYGZOUTFKZMF-UHFFFAOYSA-N
XLogP7.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
CID 69147591
N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 69147345
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
CID 97416886
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 81063126
N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
CID 69145454
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 71803461
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide (CID 69145412) is 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide is CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide?
The InChIKey is UYZYGZOUTFKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2F2NO2/c1-16(17-4-6-19(27)7-5-17)24(18-12-21(29)14-22(30)13-18)15-31-25(32)26(2,3)33-23-10-8-20(28)9-11-23/h4-14,16,24H,15H2,1-3H3,(H,31,32).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide has a molecular weight of 492.39 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide is sourced from PubChem (CID 69145412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).