N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide

C25H26ClFN2O2 — CID 69147345

IUPACN-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C25H26ClFN2O2/c1-17(18-7-9-19(26)10-8-18)22(23-6-4-5-15-28-23)16-29-24(30)25(2,3)31-21-13-11-20(27)12-14-21/h4-15,17,22H,16H2,1-3H3,(H,29,30)
InChIKeyATBBFHVCRHPEIF-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.74
Rot. Bonds8

About N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide

N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide (PubChem CID 69147345) has the molecular formula C25H26ClFN2O2 and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
PubChem CID69147345
Molecular FormulaC25H26ClFN2O2
Molecular Weight440.95 g/mol
Exact Mass440.17
IUPAC NameN-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C25H26ClFN2O2/c1-17(18-7-9-19(26)10-8-18)22(23-6-4-5-15-28-23)16-29-24(30)25(2,3)31-21-13-11-20(27)12-14-21/h4-15,17,22H,16H2,1-3H3,(H,29,30)
InChIKeyATBBFHVCRHPEIF-UHFFFAOYSA-N
XLogP5.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
CID 69145412
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
CID 69147591
2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784540
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
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-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
2-(4-chlorophenoxy)-2-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55714646
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 100664586
N-[2,3-bis(4-chlorophenyl)butyl]-3-hydroxy-2,2-dimethylpropanamide
CID 69145454
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide (CID 69147345) is N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide is CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
The InChIKey is ATBBFHVCRHPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O2/c1-17(18-7-9-19(26)10-8-18)22(23-6-4-5-15-28-23)16-29-24(30)25(2,3)31-21-13-11-20(27)12-14-21/h4-15,17,22H,16H2,1-3H3,(H,29,30).
What are the key properties of N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide has a molecular weight of 440.95 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 69147345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).