ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate

C17H16ClNO4 — CID 76852556

IUPACethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H16ClNO4/c1-2-23-16(21)9-11-3-6-13(7-4-11)19-17(22)14-10-12(18)5-8-15(14)20/h3-8,10,20H,2,9H2,1H3,(H,19,22)
InChIKeyOVVXOFZVADYNJM-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.40
Rot. Bonds5

About ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate

ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate (PubChem CID 76852556) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
PubChem CID76852556
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Nameethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H16ClNO4/c1-2-23-16(21)9-11-3-6-13(7-4-11)19-17(22)14-10-12(18)5-8-15(14)20/h3-8,10,20H,2,9H2,1H3,(H,19,22)
InChIKeyOVVXOFZVADYNJM-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
CID 1203722
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
CID 18128122
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776
methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
CID 47058003
5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
CID 25217040

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate (CID 76852556) is ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate?
The InChIKey is OVVXOFZVADYNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-2-23-16(21)9-11-3-6-13(7-4-11)19-17(22)14-10-12(18)5-8-15(14)20/h3-8,10,20H,2,9H2,1H3,(H,19,22).
What are the key properties of ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate?
ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate has a molecular weight of 333.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate is sourced from PubChem (CID 76852556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).