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

C18H20FN3O3 — CID 24718593

IUPAC2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O3/c1-25-16-8-6-15(7-9-16)22-18(24)12-21-17(23)11-20-10-13-2-4-14(19)5-3-13/h2-9,20H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLPORTDGQDBOWNC-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.68
Rot. Bonds8

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

2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide (PubChem CID 24718593) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
PubChem CID24718593
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O3/c1-25-16-8-6-15(7-9-16)22-18(24)12-21-17(23)11-20-10-13-2-4-14(19)5-3-13/h2-9,20H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLPORTDGQDBOWNC-UHFFFAOYSA-N
XLogP1.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761118
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54837977
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide (CID 24718593) is 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide is COc1ccc(NC(=O)CNC(=O)CNCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide?
The InChIKey is LPORTDGQDBOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-25-16-8-6-15(7-9-16)22-18(24)12-21-17(23)11-20-10-13-2-4-14(19)5-3-13/h2-9,20H,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide?
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 24718593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).