2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C19H20BrF2N3O2 — CID 2524168

IUPAC2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H20BrF2N3O2/c1-2-25(11-18(26)23-10-13-3-6-15(21)7-4-13)12-19(27)24-17-8-5-14(20)9-16(17)22/h3-9H,2,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyAZKNTIAADWOMLV-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.30
Rot. Bonds8

About 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2524168) has the molecular formula C19H20BrF2N3O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2524168
Molecular FormulaC19H20BrF2N3O2
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC Name2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H20BrF2N3O2/c1-2-25(11-18(26)23-10-13-3-6-15(21)7-4-13)12-19(27)24-17-8-5-14(20)9-16(17)22/h3-9H,2,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyAZKNTIAADWOMLV-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 2524168) is 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is AZKNTIAADWOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N3O2/c1-2-25(11-18(26)23-10-13-3-6-15(21)7-4-13)12-19(27)24-17-8-5-14(20)9-16(17)22/h3-9H,2,10-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 440.29 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2524168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).