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

C16H13ClFN3O4 — CID 2601957

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13ClFN3O4/c17-10-5-6-13(19-7-10)21-14(22)9-25-15(23)8-20-16(24)11-3-1-2-4-12(11)18/h1-7H,8-9H2,(H,20,24)(H,19,21,22)
InChIKeyDOJGOVQNHRYVCN-UHFFFAOYSA-N
MW365.75 g/mol
LogP1.79
Rot. Bonds6

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2601957) has the molecular formula C16H13ClFN3O4 and a molecular weight of 365.75 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2601957
Molecular FormulaC16H13ClFN3O4
Molecular Weight365.75 g/mol
Exact Mass365.06
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13ClFN3O4/c17-10-5-6-13(19-7-10)21-14(22)9-25-15(23)8-20-16(24)11-3-1-2-4-12(11)18/h1-7H,8-9H2,(H,20,24)(H,19,21,22)
InChIKeyDOJGOVQNHRYVCN-UHFFFAOYSA-N
XLogP1.79
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 2601957) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is DOJGOVQNHRYVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O4/c17-10-5-6-13(19-7-10)21-14(22)9-25-15(23)8-20-16(24)11-3-1-2-4-12(11)18/h1-7H,8-9H2,(H,20,24)(H,19,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 365.75 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2601957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).