N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide

C22H21FN2O3 — CID 112987949

IUPACN-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)cc2)c(OC)c1
InChIInChI=1S/C22H21FN2O3/c1-27-18-11-12-20(21(14-18)28-2)24-16-7-9-17(10-8-16)25-22(26)13-15-5-3-4-6-19(15)23/h3-12,14,24H,13H2,1-2H3,(H,25,26)
InChIKeyBZAROGSGNRKKQM-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.77
Rot. Bonds7

About N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide

N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 112987949) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID112987949
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)cc2)c(OC)c1
InChIInChI=1S/C22H21FN2O3/c1-27-18-11-12-20(21(14-18)28-2)24-16-7-9-17(10-8-16)25-22(26)13-15-5-3-4-6-19(15)23/h3-12,14,24H,13H2,1-2H3,(H,25,26)
InChIKeyBZAROGSGNRKKQM-UHFFFAOYSA-N
XLogP4.77
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
N-[4-(2-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987367
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112990293
2-(2-fluorophenyl)-N-(4-propoxyphenyl)acetamide
CID 110493409

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide (CID 112987949) is N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)cc2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is BZAROGSGNRKKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-18-11-12-20(21(14-18)28-2)24-16-7-9-17(10-8-16)25-22(26)13-15-5-3-4-6-19(15)23/h3-12,14,24H,13H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide?
N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 112987949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).