N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide

C21H19FN2O — CID 112986781

IUPACN-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccccc3F)cc2)c1
InChIInChI=1S/C21H19FN2O/c1-15-5-4-6-16(13-15)14-21(25)24-18-11-9-17(10-12-18)23-20-8-3-2-7-19(20)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyBXGGGDYPHCYJLK-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.06
Rot. Bonds5

About N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide

N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 112986781) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide
PubChem CID112986781
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccccc3F)cc2)c1
InChIInChI=1S/C21H19FN2O/c1-15-5-4-6-16(13-15)14-21(25)24-18-11-9-17(10-12-18)23-20-8-3-2-7-19(20)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyBXGGGDYPHCYJLK-UHFFFAOYSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 62387868
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
N-[4-(2,6-difluoroanilino)phenyl]-2-phenylacetamide
CID 112990214
N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112986773
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide (CID 112986781) is N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccccc3F)cc2)c1.
What is the InChIKey of N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is BXGGGDYPHCYJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-5-4-6-16(13-15)14-21(25)24-18-11-9-17(10-12-18)23-20-8-3-2-7-19(20)22/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide?
N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 334.39 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 112986781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).