N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide

C21H19FN2O2 — CID 112986773

IUPACN-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H19FN2O2/c1-15-6-12-18(13-7-15)26-14-21(25)24-17-10-8-16(9-11-17)23-20-5-3-2-4-19(20)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyMFCAYRJZVXCZOR-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.90
Rot. Bonds6

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

N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 112986773) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID112986773
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H19FN2O2/c1-15-6-12-18(13-7-15)26-14-21(25)24-17-10-8-16(9-11-17)23-20-5-3-2-4-19(20)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyMFCAYRJZVXCZOR-UHFFFAOYSA-N
XLogP4.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(2-fluorophenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832672
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
2-(3,4-dimethylphenoxy)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767360
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
CID 112986448
N-[4-(2,5-dimethoxyanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112987885
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112988313
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide (CID 112986773) is N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3F)cc2)cc1.
What is the InChIKey of N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is MFCAYRJZVXCZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-15-6-12-18(13-7-15)26-14-21(25)24-17-10-8-16(9-11-17)23-20-5-3-2-4-19(20)22/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 350.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 112986773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).