[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate

C16H13ClFNO3 — CID 46860340

IUPAC[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
SMILESCN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO3/c1-19(14-7-5-13(18)6-8-14)15(20)10-22-16(21)11-3-2-4-12(17)9-11/h2-9H,10H2,1H3
InChIKeyRFKORRAHYPYFMF-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.30
Rot. Bonds4

About [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate

[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate (PubChem CID 46860340) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
PubChem CID46860340
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
SMILESCN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO3/c1-19(14-7-5-13(18)6-8-14)15(20)10-22-16(21)11-3-2-4-12(17)9-11/h2-9H,10H2,1H3
InChIKeyRFKORRAHYPYFMF-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 46860302
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-chlorobenzoate
CID 7838552
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 18080610
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chlorobenzoate
CID 9014273
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 27309884
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2115637

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate?
The IUPAC name of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate (CID 46860340) is [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate.
What is the SMILES notation for [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate?
The canonical SMILES for [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate is CN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate?
The InChIKey is RFKORRAHYPYFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-19(14-7-5-13(18)6-8-14)15(20)10-22-16(21)11-3-2-4-12(17)9-11/h2-9H,10H2,1H3.
What are the key properties of [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate?
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate has a molecular weight of 321.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate is sourced from PubChem (CID 46860340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).