[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate

C16H15ClN2O4 — CID 2109809

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate
SMILESO=C(COC(=O)CCOc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O4/c17-12-6-7-14(18-10-12)19-15(20)11-23-16(21)8-9-22-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19,20)
InChIKeyPKGFDLCXLGHARC-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.69
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 2109809) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate
PubChem CID2109809
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate
SMILESO=C(COC(=O)CCOc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O4/c17-12-6-7-14(18-10-12)19-15(20)11-23-16(21)8-9-22-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19,20)
InChIKeyPKGFDLCXLGHARC-UHFFFAOYSA-N
XLogP2.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3155499
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloropyridin-2-yl)acetamide
CID 6461641
2-(2-Chlorophenoxy)-1-(4-(2-pyridyl)piperazinyl)ethan-1-one
CID 753208
2-(2-Methoxy-phenoxy)-N-pyridin-2-yl-acetamide
CID 648158
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
2-[3-(5-Chloro-pyridin-2-yl)-ureido]-3,3,3-trifluoro-2-(4-fluoro-phenoxy)-propionic acid ethyl ester
CID 3514320
4-(2,4-dichlorophenoxy)-N-(pyridin-2-yl)butanamide
CID 1581462
2-Phenoxy-N-(2-pyridinyl)acetamide
CID 816671
2-phenoxy-N-(2-pyridinyl)butanamide
CID 644606

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate (CID 2109809) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate is O=C(COC(=O)CCOc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is PKGFDLCXLGHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-12-6-7-14(18-10-12)19-15(20)11-23-16(21)8-9-22-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 334.76 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 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] 3-phenoxypropanoate is sourced from PubChem (CID 2109809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).