[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate

C15H12ClFN2O3 — CID 8804249

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1cc(Cl)ccn1)NCc1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O3/c16-11-5-6-18-13(7-11)15(21)22-9-14(20)19-8-10-1-3-12(17)4-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyCNWXKKKJVCSNJP-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.35
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate (PubChem CID 8804249) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
PubChem CID8804249
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1cc(Cl)ccn1)NCc1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O3/c16-11-5-6-18-13(7-11)15(21)22-9-14(20)19-8-10-1-3-12(17)4-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyCNWXKKKJVCSNJP-UHFFFAOYSA-N
XLogP2.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2099993
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2100173
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate
CID 46860445
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16525993
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837297
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009259
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516189
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 46428827

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate (CID 8804249) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate is O=C(COC(=O)c1cc(Cl)ccn1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The InChIKey is CNWXKKKJVCSNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-11-5-6-18-13(7-11)15(21)22-9-14(20)19-8-10-1-3-12(17)4-2-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate has a molecular weight of 322.72 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 8804249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).