2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate

C16H15ClN2O4 — CID 3405272

IUPAC2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15ClN2O4/c17-13-1-3-14(4-2-13)23-11-15(20)22-10-9-19-16(21)12-5-7-18-8-6-12/h1-8H,9-11H2,(H,19,21)
InChIKeyQQSHRJDFNHTHEB-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.09
Rot. Bonds7

About 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate

2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate (PubChem CID 3405272) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
PubChem CID3405272
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15ClN2O4/c17-13-1-3-14(4-2-13)23-11-15(20)22-10-9-19-16(21)12-5-7-18-8-6-12/h1-8H,9-11H2,(H,19,21)
InChIKeyQQSHRJDFNHTHEB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
2-(pyridine-4-carbonylamino)ethyl 3-(3-chlorophenyl)propanoate
CID 52708800
2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate
CID 3406198
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate
CID 60592379
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate (CID 3405272) is 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCCNC(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate?
The InChIKey is QQSHRJDFNHTHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-13-1-3-14(4-2-13)23-11-15(20)22-10-9-19-16(21)12-5-7-18-8-6-12/h1-8H,9-11H2,(H,19,21).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate?
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate has a molecular weight of 334.76 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 3405272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).