2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid

C21H17NO5 — CID 4896531

IUPAC2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H17NO5/c23-19-12-16(10-11-18(19)21(25)26)22-20(24)15-8-6-14(7-9-15)13-27-17-4-2-1-3-5-17/h1-12,23H,13H2,(H,22,24)(H,25,26)
InChIKeySOYGVSSETYGCNV-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.92
Rot. Bonds6

About 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid

2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid (PubChem CID 4896531) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
PubChem CID4896531
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H17NO5/c23-19-12-16(10-11-18(19)21(25)26)22-20(24)15-8-6-14(7-9-15)13-27-17-4-2-1-3-5-17/h1-12,23H,13H2,(H,22,24)(H,25,26)
InChIKeySOYGVSSETYGCNV-UHFFFAOYSA-N
XLogP3.92
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
4-benzamido-2-hydroxybenzoic acid;benzyl 2-hydroxybenzoate
CID 159314352
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
2-benzamido-4-(phenoxymethyl)benzoic acid
CID 69330554
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
5-[[3-[(3-carboxy-4-hydroxyphenyl)carbamoyl]-2,5-bis(phenylmethoxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 156852350
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid (CID 4896531) is 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid?
The InChIKey is SOYGVSSETYGCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c23-19-12-16(10-11-18(19)21(25)26)22-20(24)15-8-6-14(7-9-15)13-27-17-4-2-1-3-5-17/h1-12,23H,13H2,(H,22,24)(H,25,26).
What are the key properties of 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid?
2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid has a molecular weight of 363.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 4896531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).