sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate

C16H13FNNaO4 — CID 23700526

IUPACsodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(NC(=O)c2ccccc2O)c(F)c1.[Na+]
InChIInChI=1S/C16H14FNO4.Na/c17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;/h1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);/q;+1/p-1
InChIKeyOMRNWTNNODQTEZ-UHFFFAOYSA-M
MW325.27 g/mol
LogP-1.53
Rot. Bonds5

About sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate

sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate (PubChem CID 23700526) has the molecular formula C16H13FNNaO4 and a molecular weight of 325.27 g/mol. Its IUPAC name is sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate.

Molecular Properties

Compound Namesodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate
PubChem CID23700526
Molecular FormulaC16H13FNNaO4
Molecular Weight325.27 g/mol
Exact Mass325.07
IUPAC Namesodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(NC(=O)c2ccccc2O)c(F)c1.[Na+]
InChIInChI=1S/C16H14FNO4.Na/c17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;/h1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);/q;+1/p-1
InChIKeyOMRNWTNNODQTEZ-UHFFFAOYSA-M
XLogP-1.53
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate
CID 139951715
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343189
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
CID 60804128
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-[4-(aminomethyl)-2-fluorophenyl]-2,6-dihydroxybenzamide
CID 107687505
1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
CID 51062877
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003

Frequently Asked Questions

What is the IUPAC name of sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate?
The IUPAC name of sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate (CID 23700526) is sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate.
What is the SMILES notation for sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate?
The canonical SMILES for sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate is O=C([O-])CCc1ccc(NC(=O)c2ccccc2O)c(F)c1.[Na+].
What is the InChIKey of sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate?
The InChIKey is OMRNWTNNODQTEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14FNO4.Na/c17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;/h1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);/q;+1/p-1.
What are the key properties of sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate?
sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate has a molecular weight of 325.27 g/mol, XLogP of -1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate is sourced from PubChem (CID 23700526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).