2-acetamido-3-benzyl-4-hydroxybenzoic acid

C16H15NO4 — CID 146409350

IUPAC2-acetamido-3-benzyl-4-hydroxybenzoic acid
SMILESCC(=O)Nc1c(C(=O)O)ccc(O)c1Cc1ccccc1
InChIInChI=1S/C16H15NO4/c1-10(18)17-15-12(16(20)21)7-8-14(19)13(15)9-11-5-3-2-4-6-11/h2-8,19H,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyLPYQSCOEXLLOMJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.64
Rot. Bonds4

About 2-acetamido-3-benzyl-4-hydroxybenzoic acid

2-acetamido-3-benzyl-4-hydroxybenzoic acid (PubChem CID 146409350) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-acetamido-3-benzyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-acetamido-3-benzyl-4-hydroxybenzoic acid
PubChem CID146409350
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-acetamido-3-benzyl-4-hydroxybenzoic acid
SMILESCC(=O)Nc1c(C(=O)O)ccc(O)c1Cc1ccccc1
InChIInChI=1S/C16H15NO4/c1-10(18)17-15-12(16(20)21)7-8-14(19)13(15)9-11-5-3-2-4-6-11/h2-8,19H,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyLPYQSCOEXLLOMJ-UHFFFAOYSA-N
XLogP2.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-benzyl-4-hydroxybenzoic acid?
The IUPAC name of 2-acetamido-3-benzyl-4-hydroxybenzoic acid (CID 146409350) is 2-acetamido-3-benzyl-4-hydroxybenzoic acid.
What is the SMILES notation for 2-acetamido-3-benzyl-4-hydroxybenzoic acid?
The canonical SMILES for 2-acetamido-3-benzyl-4-hydroxybenzoic acid is CC(=O)Nc1c(C(=O)O)ccc(O)c1Cc1ccccc1.
What is the InChIKey of 2-acetamido-3-benzyl-4-hydroxybenzoic acid?
The InChIKey is LPYQSCOEXLLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10(18)17-15-12(16(20)21)7-8-14(19)13(15)9-11-5-3-2-4-6-11/h2-8,19H,9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-acetamido-3-benzyl-4-hydroxybenzoic acid?
2-acetamido-3-benzyl-4-hydroxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-benzyl-4-hydroxybenzoic acid is sourced from PubChem (CID 146409350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).