[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C16H13ClFNO3 — CID 7759274

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClFNO3/c17-12-2-1-3-14(9-12)19-15(20)10-22-16(21)8-11-4-6-13(18)7-5-11/h1-7,9H,8,10H2,(H,19,20)
InChIKeyLJLHIDCMLUWMBY-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.20
Rot. Bonds5

About [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7759274) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID7759274
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClFNO3/c17-12-2-1-3-14(9-12)19-15(20)10-22-16(21)8-11-4-6-13(18)7-5-11/h1-7,9H,8,10H2,(H,19,20)
InChIKeyLJLHIDCMLUWMBY-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758895
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759377
[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671933
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
N-(3-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 17173171

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 7759274) is [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is LJLHIDCMLUWMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-12-2-1-3-14(9-12)19-15(20)10-22-16(21)8-11-4-6-13(18)7-5-11/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 321.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).