2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide

C24H23F2NO — CID 142510758

IUPAC2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H23F2NO/c1-4-27-23(28)24(2,3)20-14-18(16-5-9-21(25)10-6-16)13-19(15-20)17-7-11-22(26)12-8-17/h5-15H,4H2,1-3H3,(H,27,28)
InChIKeyXSPHCZAEAPCKKG-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.71
Rot. Bonds5

About 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide

2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide (PubChem CID 142510758) has the molecular formula C24H23F2NO and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide
PubChem CID142510758
Molecular FormulaC24H23F2NO
Molecular Weight379.45 g/mol
Exact Mass379.17
IUPAC Name2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H23F2NO/c1-4-27-23(28)24(2,3)20-14-18(16-5-9-21(25)10-6-16)13-19(15-20)17-7-11-22(26)12-8-17/h5-15H,4H2,1-3H3,(H,27,28)
InChIKeyXSPHCZAEAPCKKG-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 130367899
2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
CID 110487750
3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119177515
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 119996739
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
3-(4-fluorophenyl)-5-propylbenzoic acid
CID 69063865
1-ethyl-3,5-bis(4-fluorophenyl)benzene
CID 130381360
2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055994
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2,2-difluoropropanamide
CID 166585914
2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 56787077

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide (CID 142510758) is 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide?
The InChIKey is XSPHCZAEAPCKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO/c1-4-27-23(28)24(2,3)20-14-18(16-5-9-21(25)10-6-16)13-19(15-20)17-7-11-22(26)12-8-17/h5-15H,4H2,1-3H3,(H,27,28).
What are the key properties of 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide?
2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide has a molecular weight of 379.45 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 142510758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).