calcium 4-benzamido-2-hydroxybenzoic acid

C14H11CaNO4+2 — CID 54607902

IUPACcalcium 4-benzamido-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.[Ca+2]
InChIInChI=1S/C14H11NO4.Ca/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;/h1-8,16H,(H,15,17)(H,18,19);/q;+2
InChIKeyQACSWMVYTPKFMY-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.96
Rot. Bonds3

About calcium 4-benzamido-2-hydroxybenzoic acid

calcium 4-benzamido-2-hydroxybenzoic acid (PubChem CID 54607902) has the molecular formula C14H11CaNO4+2 and a molecular weight of 297.32 g/mol. Its IUPAC name is calcium 4-benzamido-2-hydroxybenzoic acid.

Molecular Properties

Compound Namecalcium 4-benzamido-2-hydroxybenzoic acid
PubChem CID54607902
Molecular FormulaC14H11CaNO4+2
Molecular Weight297.32 g/mol
Exact Mass297.03
IUPAC Namecalcium 4-benzamido-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.[Ca+2]
InChIInChI=1S/C14H11NO4.Ca/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;/h1-8,16H,(H,15,17)(H,18,19);/q;+2
InChIKeyQACSWMVYTPKFMY-UHFFFAOYSA-N
XLogP1.96
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
4-benzamidosalicylic acid, calcium salt
CID 126959845
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
calcium bis(5-benzamido-2-carboxyphenolate)
CID 54676902
4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate
CID 159314352
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123
2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
CID 670881
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
5-benzamido-2-iodobenzoic acid
CID 2974228
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002

Frequently Asked Questions

What is the IUPAC name of calcium 4-benzamido-2-hydroxybenzoic acid?
The IUPAC name of calcium 4-benzamido-2-hydroxybenzoic acid (CID 54607902) is calcium 4-benzamido-2-hydroxybenzoic acid.
What is the SMILES notation for calcium 4-benzamido-2-hydroxybenzoic acid?
The canonical SMILES for calcium 4-benzamido-2-hydroxybenzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.[Ca+2].
What is the InChIKey of calcium 4-benzamido-2-hydroxybenzoic acid?
The InChIKey is QACSWMVYTPKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4.Ca/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;/h1-8,16H,(H,15,17)(H,18,19);/q;+2.
What are the key properties of calcium 4-benzamido-2-hydroxybenzoic acid?
calcium 4-benzamido-2-hydroxybenzoic acid has a molecular weight of 297.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium 4-benzamido-2-hydroxybenzoic acid is sourced from PubChem (CID 54607902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).