5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid

C17H17NO5 — CID 71200965

IUPAC5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(-c2ccccc2NC(C)=O)cc1C(=O)O
InChIInChI=1S/C17H17NO5/c1-10(19)18-14-7-5-4-6-11(14)12-8-13(17(20)21)16(23-3)9-15(12)22-2/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyWYOFGSXCRLMXDT-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.03
Rot. Bonds5

About 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid

5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid (PubChem CID 71200965) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid
PubChem CID71200965
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(-c2ccccc2NC(C)=O)cc1C(=O)O
InChIInChI=1S/C17H17NO5/c1-10(19)18-14-7-5-4-6-11(14)12-8-13(17(20)21)16(23-3)9-15(12)22-2/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyWYOFGSXCRLMXDT-UHFFFAOYSA-N
XLogP3.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
CID 170843062
CID 170843062
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid
CID 58857060
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid?
The IUPAC name of 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid (CID 71200965) is 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid?
The canonical SMILES for 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid is COc1cc(OC)c(-c2ccccc2NC(C)=O)cc1C(=O)O.
What is the InChIKey of 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid?
The InChIKey is WYOFGSXCRLMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-10(19)18-14-7-5-4-6-11(14)12-8-13(17(20)21)16(23-3)9-15(12)22-2/h4-9H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid?
5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid has a molecular weight of 315.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 71200965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).