[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate

C15H10ClF2NO3 — CID 46860441

IUPAC[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1Cl
InChIInChI=1S/C15H10ClF2NO3/c16-12-6-5-11(18)7-13(12)19-14(20)8-22-15(21)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,19,20)
InChIKeySMOQUCIFKVWYHQ-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.41
Rot. Bonds4

About [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 46860441) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID46860441
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1Cl
InChIInChI=1S/C15H10ClF2NO3/c16-12-6-5-11(18)7-13(12)19-14(20)8-22-15(21)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,19,20)
InChIKeySMOQUCIFKVWYHQ-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 71823348
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538331
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571518
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536241
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2419920
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193460
4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
CID 23802638
ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3531979
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2627910

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate (CID 46860441) is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is SMOQUCIFKVWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-12-6-5-11(18)7-13(12)19-14(20)8-22-15(21)9-1-3-10(17)4-2-9/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 325.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 46860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).