2-benzamido-4,5-dimethoxybenzoic acid

C16H15NO5 — CID 717923

IUPAC2-benzamido-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H15NO5/c1-21-13-8-11(16(19)20)12(9-14(13)22-2)17-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyOJVAHJWDGCQYKM-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.65
Rot. Bonds5

About 2-benzamido-4,5-dimethoxybenzoic acid

2-benzamido-4,5-dimethoxybenzoic acid (PubChem CID 717923) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-benzamido-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-benzamido-4,5-dimethoxybenzoic acid
PubChem CID717923
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-benzamido-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H15NO5/c1-21-13-8-11(16(19)20)12(9-14(13)22-2)17-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyOJVAHJWDGCQYKM-UHFFFAOYSA-N
XLogP2.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzamido-4,5-dimethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-benzamido-4,5-dimethoxybenzoic acid (CID 717923) is 2-benzamido-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-benzamido-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-benzamido-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2ccccc2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-benzamido-4,5-dimethoxybenzoic acid?
The InChIKey is OJVAHJWDGCQYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-13-8-11(16(19)20)12(9-14(13)22-2)17-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-benzamido-4,5-dimethoxybenzoic acid?
2-benzamido-4,5-dimethoxybenzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 717923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).