[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

C15H12ClFN2O3 — CID 4855756

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12ClFN2O3/c16-11-3-6-13(18-8-11)19-14(20)9-22-15(21)7-10-1-4-12(17)5-2-10/h1-6,8H,7,9H2,(H,18,19,20)
InChIKeyUPEKKOIJALDPJL-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.60
Rot. Bonds5

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 4855756) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID4855756
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12ClFN2O3/c16-11-3-6-13(18-8-11)19-14(20)9-22-15(21)7-10-1-4-12(17)5-2-10/h1-6,8H,7,9H2,(H,18,19,20)
InChIKeyUPEKKOIJALDPJL-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 2084415
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2093527
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 2093970
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2102827
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2544883
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2636191
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 4785222

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 4855756) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is UPEKKOIJALDPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-11-3-6-13(18-8-11)19-14(20)9-22-15(21)7-10-1-4-12(17)5-2-10/h1-6,8H,7,9H2,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 322.72 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 4855756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).