3-benzamido-4-carboxyphenolate

C14H10NO4- — CID 54725755

IUPAC3-benzamido-4-carboxyphenolate
SMILESO=C(Nc1cc([O-])ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)/p-1
InChIKeyOZOUTQJDMGSCPN-UHFFFAOYSA-M
MW256.24 g/mol
LogP1.71
Rot. Bonds3

About 3-benzamido-4-carboxyphenolate

3-benzamido-4-carboxyphenolate (PubChem CID 54725755) has the molecular formula C14H10NO4- and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-benzamido-4-carboxyphenolate.

Molecular Properties

Compound Name3-benzamido-4-carboxyphenolate
PubChem CID54725755
Molecular FormulaC14H10NO4-
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name3-benzamido-4-carboxyphenolate
SMILESO=C(Nc1cc([O-])ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)/p-1
InChIKeyOZOUTQJDMGSCPN-UHFFFAOYSA-M
XLogP1.71
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-carboxyphenolate?
The IUPAC name of 3-benzamido-4-carboxyphenolate (CID 54725755) is 3-benzamido-4-carboxyphenolate.
What is the SMILES notation for 3-benzamido-4-carboxyphenolate?
The canonical SMILES for 3-benzamido-4-carboxyphenolate is O=C(Nc1cc([O-])ccc1C(=O)O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-carboxyphenolate?
The InChIKey is OZOUTQJDMGSCPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)/p-1.
What are the key properties of 3-benzamido-4-carboxyphenolate?
3-benzamido-4-carboxyphenolate has a molecular weight of 256.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-carboxyphenolate is sourced from PubChem (CID 54725755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).