[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C19H17ClFNO4 — CID 2387587

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO4/c20-15-5-3-14(4-6-15)17(23)9-10-19(25)26-12-18(24)22-11-13-1-7-16(21)8-2-13/h1-8H,9-12H2,(H,22,24)
InChIKeyVGPKNAXPLCELEQ-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.30
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2387587) has the molecular formula C19H17ClFNO4 and a molecular weight of 377.80 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2387587
Molecular FormulaC19H17ClFNO4
Molecular Weight377.80 g/mol
Exact Mass377.08
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO4/c20-15-5-3-14(4-6-15)17(23)9-10-19(25)26-12-18(24)22-11-13-1-7-16(21)8-2-13/h1-8H,9-12H2,(H,22,24)
InChIKeyVGPKNAXPLCELEQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2355125
[2-[Benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2356128
[2-(Cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417977
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2436445
2-(4-Fluorophenyl)-2-oxoethyl {[(benzoylamino)acetyl]amino}acetate
CID 1618550
2-(2-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
(2-Amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2118289
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 2428350
[2-(2-Methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2431382
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2435045

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2387587) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is VGPKNAXPLCELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO4/c20-15-5-3-14(4-6-15)17(23)9-10-19(25)26-12-18(24)22-11-13-1-7-16(21)8-2-13/h1-8H,9-12H2,(H,22,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 377.80 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2387587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).