[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate

C20H15ClN2O4 — CID 2498230

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cccnc1Cl
InChIInChI=1S/C20H15ClN2O4/c21-19-16(10-6-12-22-19)23-18(24)13-26-20(25)15-9-4-5-11-17(15)27-14-7-2-1-3-8-14/h1-12H,13H2,(H,23,24)
InChIKeyHCZMTYAIRPZLSG-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.32
Rot. Bonds6

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

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2498230) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2498230
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cccnc1Cl
InChIInChI=1S/C20H15ClN2O4/c21-19-16(10-6-12-22-19)23-18(24)13-26-20(25)15-9-4-5-11-17(15)27-14-7-2-1-3-8-14/h1-12H,13H2,(H,23,24)
InChIKeyHCZMTYAIRPZLSG-UHFFFAOYSA-N
XLogP4.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949320
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689451
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-butoxybenzoate
CID 2585299
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7569129
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172090

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate (CID 2498230) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate is O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is HCZMTYAIRPZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-19-16(10-6-12-22-19)23-18(24)13-26-20(25)15-9-4-5-11-17(15)27-14-7-2-1-3-8-14/h1-12H,13H2,(H,23,24).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 382.80 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2498230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).