4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate

C28H23NO7 — CID 159314352

IUPAC4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.O=C(OCc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H11NO4.C14H12O3/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-8,16H,(H,15,17)(H,18,19);1-9,15H,10H2
InChIKeyLCYGCLAFCMJKAD-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.09
Rot. Bonds6

About 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate

4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate (PubChem CID 159314352) has the molecular formula C28H23NO7 and a molecular weight of 485.49 g/mol. Its IUPAC name is 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate.

Molecular Properties

Compound Name4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate
PubChem CID159314352
Molecular FormulaC28H23NO7
Molecular Weight485.49 g/mol
Exact Mass485.15
IUPAC Name4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.O=C(OCc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H11NO4.C14H12O3/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-8,16H,(H,15,17)(H,18,19);1-9,15H,10H2
InChIKeyLCYGCLAFCMJKAD-UHFFFAOYSA-N
XLogP5.09
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate?
The IUPAC name of 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate (CID 159314352) is 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate.
What is the SMILES notation for 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate?
The canonical SMILES for 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1.O=C(OCc1ccccc1)c1ccccc1O.
What is the InChIKey of 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate?
The InChIKey is LCYGCLAFCMJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4.C14H12O3/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-8,16H,(H,15,17)(H,18,19);1-9,15H,10H2.
What are the key properties of 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate?
4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate has a molecular weight of 485.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate is sourced from PubChem (CID 159314352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).