2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide

C23H21F2N3O3 — CID 55483246

IUPAC2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)cc2)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-31-21-12-10-20(11-13-21)28(14-22(29)26-18-6-2-16(24)3-7-18)15-23(30)27-19-8-4-17(25)5-9-19/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyBCQGCBMZVWYIQB-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.06
Rot. Bonds8

About 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide

2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 55483246) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
PubChem CID55483246
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)cc2)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-31-21-12-10-20(11-13-21)28(14-22(29)26-18-6-2-16(24)3-7-18)15-23(30)27-19-8-4-17(25)5-9-19/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyBCQGCBMZVWYIQB-UHFFFAOYSA-N
XLogP4.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate
CID 10545597
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide (CID 55483246) is 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(F)cc2)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is BCQGCBMZVWYIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-31-21-12-10-20(11-13-21)28(14-22(29)26-18-6-2-16(24)3-7-18)15-23(30)27-19-8-4-17(25)5-9-19/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide?
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 425.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).