[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate

C19H19FN2O4 — CID 9067527

IUPAC[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4/c1-13-4-2-3-5-16(13)22-18(24)12-26-19(25)11-10-17(23)21-15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLZWKRVVVVWORCW-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.03
Rot. Bonds7

About [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate

[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate (PubChem CID 9067527) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
PubChem CID9067527
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4/c1-13-4-2-3-5-16(13)22-18(24)12-26-19(25)11-10-17(23)21-15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLZWKRVVVVWORCW-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate
CID 17261912
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 17259335
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
[2-(4-bromo-2-ethylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 17258770
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261560
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
[2-(2-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate (CID 9067527) is [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate is Cc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
The InChIKey is LZWKRVVVVWORCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-13-4-2-3-5-16(13)22-18(24)12-26-19(25)11-10-17(23)21-15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate has a molecular weight of 358.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate is sourced from PubChem (CID 9067527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).