calcium;4-benzamido-2-hydroxybenzoic acid;hydride

C14H13CaNO4 — CID 173372748

IUPACcalcium;4-benzamido-2-hydroxybenzoic acid;hydride
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C14H11NO4.Ca.2H/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;2*-1
InChIKeyBWYFXSCWSQGNKP-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.19
Rot. Bonds3

About calcium;4-benzamido-2-hydroxybenzoic acid;hydride

calcium;4-benzamido-2-hydroxybenzoic acid;hydride (PubChem CID 173372748) has the molecular formula C14H13CaNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is calcium;4-benzamido-2-hydroxybenzoic acid;hydride.

Molecular Properties

Compound Namecalcium;4-benzamido-2-hydroxybenzoic acid;hydride
PubChem CID173372748
Molecular FormulaC14H13CaNO4
Molecular Weight299.34 g/mol
Exact Mass299.05
IUPAC Namecalcium;4-benzamido-2-hydroxybenzoic acid;hydride
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C14H11NO4.Ca.2H/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;2*-1
InChIKeyBWYFXSCWSQGNKP-UHFFFAOYSA-N
XLogP2.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
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;hydride?
The IUPAC name of calcium;4-benzamido-2-hydroxybenzoic acid;hydride (CID 173372748) is calcium;4-benzamido-2-hydroxybenzoic acid;hydride.
What is the SMILES notation for calcium;4-benzamido-2-hydroxybenzoic acid;hydride?
The canonical SMILES for calcium;4-benzamido-2-hydroxybenzoic acid;hydride is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;4-benzamido-2-hydroxybenzoic acid;hydride?
The InChIKey is BWYFXSCWSQGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4.Ca.2H/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;2*-1.
What are the key properties of calcium;4-benzamido-2-hydroxybenzoic acid;hydride?
calcium;4-benzamido-2-hydroxybenzoic acid;hydride has a molecular weight of 299.34 g/mol, XLogP of 2.19, 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;hydride is sourced from PubChem (CID 173372748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).