2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate

C21H17ClN2O3 — CID 21237363

IUPAC2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate
SMILESO=C(OCCN(C(=O)c1ccncc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O3/c22-18-8-6-17(7-9-18)21(26)27-15-14-24(19-4-2-1-3-5-19)20(25)16-10-12-23-13-11-16/h1-13H,14-15H2
InChIKeyQFDWRJBESAGRPO-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.24
Rot. Bonds6

About 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate

2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate (PubChem CID 21237363) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate.

Molecular Properties

Compound Name2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate
PubChem CID21237363
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate
SMILESO=C(OCCN(C(=O)c1ccncc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O3/c22-18-8-6-17(7-9-18)21(26)27-15-14-24(19-4-2-1-3-5-19)20(25)16-10-12-23-13-11-16/h1-13H,14-15H2
InChIKeyQFDWRJBESAGRPO-UHFFFAOYSA-N
XLogP4.24
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate?
The IUPAC name of 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate (CID 21237363) is 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate.
What is the SMILES notation for 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate?
The canonical SMILES for 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate is O=C(OCCN(C(=O)c1ccncc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate?
The InChIKey is QFDWRJBESAGRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-18-8-6-17(7-9-18)21(26)27-15-14-24(19-4-2-1-3-5-19)20(25)16-10-12-23-13-11-16/h1-13H,14-15H2.
What are the key properties of 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate?
2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate has a molecular weight of 380.83 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-chlorobenzoate is sourced from PubChem (CID 21237363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).