N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide

C24H22F4N2O3 — CID 23539446

IUPACN-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(OC)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C24H22F4N2O3/c1-30(2)16-8-5-14(6-9-16)18-12-22(33-4)19(13-21(18)32-3)17-10-7-15(11-20(17)25)29-23(31)24(26,27)28/h5-13H,1-4H3,(H,29,31)
InChIKeyOEQURQXOXJHLEV-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.74
Rot. Bonds6

About N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide

N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide (PubChem CID 23539446) has the molecular formula C24H22F4N2O3 and a molecular weight of 462.44 g/mol. Its IUPAC name is N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
PubChem CID23539446
Molecular FormulaC24H22F4N2O3
Molecular Weight462.44 g/mol
Exact Mass462.16
IUPAC NameN-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(OC)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C24H22F4N2O3/c1-30(2)16-8-5-14(6-9-16)18-12-22(33-4)19(13-21(18)32-3)17-10-7-15(11-20(17)25)29-23(31)24(26,27)28/h5-13H,1-4H3,(H,29,31)
InChIKeyOEQURQXOXJHLEV-UHFFFAOYSA-N
XLogP5.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
CID 142667086
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
3-(3-fluoro-4-methoxyphenyl)-1-methyl-1-[(2R)-pentan-2-yl]urea
CID 94187469
3-[4-methoxy-3-(4-methoxyphenyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 146134636
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide (CID 23539446) is N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide is COc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(OC)cc1-c1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide?
The InChIKey is OEQURQXOXJHLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O3/c1-30(2)16-8-5-14(6-9-16)18-12-22(33-4)19(13-21(18)32-3)17-10-7-15(11-20(17)25)29-23(31)24(26,27)28/h5-13H,1-4H3,(H,29,31).
What are the key properties of N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide?
N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide has a molecular weight of 462.44 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23539446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).