[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate

C16H13Cl2FN2O3 — CID 46789992

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
SMILESCC(OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H13Cl2FN2O3/c1-8(15(22)21-13-5-3-2-4-12(13)19)24-16(23)10-6-9(17)7-11(18)14(10)20/h2-8H,20H2,1H3,(H,21,22)
InChIKeyDILYQLXDDOSJBF-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.90
Rot. Bonds4

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate (PubChem CID 46789992) has the molecular formula C16H13Cl2FN2O3 and a molecular weight of 371.20 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
PubChem CID46789992
Molecular FormulaC16H13Cl2FN2O3
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
SMILESCC(OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H13Cl2FN2O3/c1-8(15(22)21-13-5-3-2-4-12(13)19)24-16(23)10-6-9(17)7-11(18)14(10)20/h2-8H,20H2,1H3,(H,21,22)
InChIKeyDILYQLXDDOSJBF-UHFFFAOYSA-N
XLogP3.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 16539465
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508960
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 7762534
[1-(benzylamino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 42915222
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864673
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625417
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 2637600
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate
CID 7990154
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate
CID 7786327

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate (CID 46789992) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate is CC(OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccccc1F.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is DILYQLXDDOSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O3/c1-8(15(22)21-13-5-3-2-4-12(13)19)24-16(23)10-6-9(17)7-11(18)14(10)20/h2-8H,20H2,1H3,(H,21,22).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 371.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 46789992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).