4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid

C15H11ClN2O5 — CID 23802638

IUPAC4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
SMILESO=C(COC(=O)c1ccncc1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C15H11ClN2O5/c16-11-2-1-10(14(20)21)7-12(11)18-13(19)8-23-15(22)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyJBRPTEYJFRGJLJ-UHFFFAOYSA-N
MW334.72 g/mol
LogP2.23
Rot. Bonds5

About 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid

4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid (PubChem CID 23802638) has the molecular formula C15H11ClN2O5 and a molecular weight of 334.72 g/mol. Its IUPAC name is 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
PubChem CID23802638
Molecular FormulaC15H11ClN2O5
Molecular Weight334.72 g/mol
Exact Mass334.04
IUPAC Name4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
SMILESO=C(COC(=O)c1ccncc1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C15H11ClN2O5/c16-11-2-1-10(14(20)21)7-12(11)18-13(19)8-23-15(22)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyJBRPTEYJFRGJLJ-UHFFFAOYSA-N
XLogP2.23
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 3595411
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] pyridine-4-carboxylate
CID 2347807
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 3577084
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998
4-chloro-3-(pyridin-4-ylmethylamino)benzoic acid
CID 6471733
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2419920
4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 71823348
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] pyridine-4-carboxylate
CID 7889737
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid (CID 23802638) is 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid is O=C(COC(=O)c1ccncc1)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid?
The InChIKey is JBRPTEYJFRGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O5/c16-11-2-1-10(14(20)21)7-12(11)18-13(19)8-23-15(22)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid?
4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid has a molecular weight of 334.72 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 23802638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).