[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate

C16H14ClFN2O3 — CID 7471714

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
SMILESNc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c17-11-3-6-14(19)13(7-11)16(22)23-9-15(21)20-8-10-1-4-12(18)5-2-10/h1-7H,8-9,19H2,(H,20,21)
InChIKeyWQUIQHHVIJMSTK-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.53
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate (PubChem CID 7471714) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
PubChem CID7471714
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
SMILESNc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c17-11-3-6-14(19)13(7-11)16(22)23-9-15(21)20-8-10-1-4-12(18)5-2-10/h1-7H,8-9,19H2,(H,20,21)
InChIKeyWQUIQHHVIJMSTK-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate (CID 7471714) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate is Nc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate?
The InChIKey is WQUIQHHVIJMSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-11-3-6-14(19)13(7-11)16(22)23-9-15(21)20-8-10-1-4-12(18)5-2-10/h1-7H,8-9,19H2,(H,20,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate has a molecular weight of 336.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate is sourced from PubChem (CID 7471714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).