2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate

C16H15ClN2O4 — CID 60592379

IUPAC2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15ClN2O4/c1-22-14-3-2-12(17)10-13(14)16(21)23-9-8-19-15(20)11-4-6-18-7-5-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyVBFLZBNCKWDOKI-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.33
Rot. Bonds6

About 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate

2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate (PubChem CID 60592379) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate
PubChem CID60592379
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15ClN2O4/c1-22-14-3-2-12(17)10-13(14)16(21)23-9-8-19-15(20)11-4-6-18-7-5-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyVBFLZBNCKWDOKI-UHFFFAOYSA-N
XLogP2.33
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.33
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

5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803100
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
2-(pyridine-4-carbonylamino)ethyl 3-(3-chlorophenyl)propanoate
CID 52708800

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate (CID 60592379) is 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCCNC(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate?
The InChIKey is VBFLZBNCKWDOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-3-2-12(17)10-13(14)16(21)23-9-8-19-15(20)11-4-6-18-7-5-11/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate?
2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate has a molecular weight of 334.76 g/mol, XLogP of 2.33, 6 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 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 60592379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).