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

C21H17ClN2O4 — CID 7284277

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H17ClN2O4/c22-17-8-11-19(23-12-17)24-20(25)14-28-21(26)16-6-9-18(10-7-16)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,23,24,25)
InChIKeyFIYKEGLTGJKDRR-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.11
Rot. Bonds7

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 7284277) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID7284277
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H17ClN2O4/c22-17-8-11-19(23-12-17)24-20(25)14-28-21(26)16-6-9-18(10-7-16)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,23,24,25)
InChIKeyFIYKEGLTGJKDRR-UHFFFAOYSA-N
XLogP4.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 18209174
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(difluoromethylsulfanyl)benzoate
CID 55504987
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520931
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23887686

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate (CID 7284277) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate is O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is FIYKEGLTGJKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c22-17-8-11-19(23-12-17)24-20(25)14-28-21(26)16-6-9-18(10-7-16)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,23,24,25).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 396.83 g/mol, XLogP of 4.11, 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] 4-phenylmethoxybenzoate is sourced from PubChem (CID 7284277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).