sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate

C17H15ClNNaO4 — CID 25217040

IUPACsodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
SMILESO=C([O-])CCCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1.[Na+]
InChIInChI=1S/C17H16ClNO4.Na/c18-12-6-9-15(20)14(10-12)17(23)19-13-7-4-11(5-8-13)2-1-3-16(21)22;/h4-10,20H,1-3H2,(H,19,23)(H,21,22);/q;+1/p-1
InChIKeyUGNDSTZBMMBIOP-UHFFFAOYSA-M
MW355.75 g/mol
LogP-0.63
Rot. Bonds6

About sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate

sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate (PubChem CID 25217040) has the molecular formula C17H15ClNNaO4 and a molecular weight of 355.75 g/mol. Its IUPAC name is sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate.

Molecular Properties

Compound Namesodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
PubChem CID25217040
Molecular FormulaC17H15ClNNaO4
Molecular Weight355.75 g/mol
Exact Mass355.06
IUPAC Namesodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
SMILESO=C([O-])CCCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1.[Na+]
InChIInChI=1S/C17H16ClNO4.Na/c18-12-6-9-15(20)14(10-12)17(23)19-13-7-4-11(5-8-13)2-1-3-16(21)22;/h4-10,20H,1-3H2,(H,19,23)(H,21,22);/q;+1/p-1
InChIKeyUGNDSTZBMMBIOP-UHFFFAOYSA-M
XLogP-0.63
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
CID 76852556
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
CID 23716993
5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
CID 1203722
2-hydroxy-N-[4-(4-oxopentyl)phenyl]benzamide
CID 22944662
3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
CID 11291166
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
CID 103771882

Frequently Asked Questions

What is the IUPAC name of sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate?
The IUPAC name of sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate (CID 25217040) is sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate.
What is the SMILES notation for sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate?
The canonical SMILES for sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate is O=C([O-])CCCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1.[Na+].
What is the InChIKey of sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate?
The InChIKey is UGNDSTZBMMBIOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16ClNO4.Na/c18-12-6-9-15(20)14(10-12)17(23)19-13-7-4-11(5-8-13)2-1-3-16(21)22;/h4-10,20H,1-3H2,(H,19,23)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate?
sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate has a molecular weight of 355.75 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate is sourced from PubChem (CID 25217040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).