N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide

C26H26Cl2FNO2 — CID 69147591

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl2FNO2/c1-17(18-7-11-20(27)12-8-18)24(19-9-13-21(28)14-10-19)16-30-25(31)26(2,3)32-23-6-4-5-22(29)15-23/h4-15,17,24H,16H2,1-3H3,(H,30,31)
InChIKeyQRMJKJKTGINFGX-UHFFFAOYSA-N
MW474.40 g/mol
LogP6.99
Rot. Bonds8

About N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide

N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide (PubChem CID 69147591) has the molecular formula C26H26Cl2FNO2 and a molecular weight of 474.40 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
PubChem CID69147591
Molecular FormulaC26H26Cl2FNO2
Molecular Weight474.40 g/mol
Exact Mass473.13
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl2FNO2/c1-17(18-7-11-20(27)12-8-18)24(19-9-13-21(28)14-10-19)16-30-25(31)26(2,3)32-23-6-4-5-22(29)15-23/h4-15,17,24H,16H2,1-3H3,(H,30,31)
InChIKeyQRMJKJKTGINFGX-UHFFFAOYSA-N
XLogP6.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
CID 69145412
N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 69147345
N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
CID 69145454
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
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 69145260
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide (CID 69147591) is N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide is CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide?
The InChIKey is QRMJKJKTGINFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2FNO2/c1-17(18-7-11-20(27)12-8-18)24(19-9-13-21(28)14-10-19)16-30-25(31)26(2,3)32-23-6-4-5-22(29)15-23/h4-15,17,24H,16H2,1-3H3,(H,30,31).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide?
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide has a molecular weight of 474.40 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 69147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).