ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate

C16H14ClNO4 — CID 71508678

IUPACethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H14ClNO4/c1-2-22-16(21)10-4-3-5-12(8-10)18-15(20)13-9-11(17)6-7-14(13)19/h3-9,19H,2H2,1H3,(H,18,20)
InChIKeyNMSWBZLWVYGPAR-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.47
Rot. Bonds4

About ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate

ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate (PubChem CID 71508678) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
PubChem CID71508678
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Nameethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H14ClNO4/c1-2-22-16(21)10-4-3-5-12(8-10)18-15(20)13-9-11(17)6-7-14(13)19/h3-9,19H,2H2,1H3,(H,18,20)
InChIKeyNMSWBZLWVYGPAR-UHFFFAOYSA-N
XLogP3.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate 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

ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003
5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 70853824
ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
CID 76852556
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate (CID 71508678) is ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate?
The InChIKey is NMSWBZLWVYGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-2-22-16(21)10-4-3-5-12(8-10)18-15(20)13-9-11(17)6-7-14(13)19/h3-9,19H,2H2,1H3,(H,18,20).
What are the key properties of ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate?
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate has a molecular weight of 319.74 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate is sourced from PubChem (CID 71508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).