3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid

C22H18N2O5 — CID 1369639

IUPAC3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C22H18N2O5/c25-20(14-29-17-9-2-1-3-10-17)24-19-12-5-4-11-18(19)21(26)23-16-8-6-7-15(13-16)22(27)28/h1-13H,14H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyLLWDLYAWKCIWIL-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.65
Rot. Bonds7

About 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid

3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid (PubChem CID 1369639) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
PubChem CID1369639
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C22H18N2O5/c25-20(14-29-17-9-2-1-3-10-17)24-19-12-5-4-11-18(19)21(26)23-16-8-6-7-15(13-16)22(27)28/h1-13H,14H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyLLWDLYAWKCIWIL-UHFFFAOYSA-N
XLogP3.65
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 2194345
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1107335
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
3-[2-(2-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43215098
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid (CID 1369639) is 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid is O=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is LLWDLYAWKCIWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-20(14-29-17-9-2-1-3-10-17)24-19-12-5-4-11-18(19)21(26)23-16-8-6-7-15(13-16)22(27)28/h1-13H,14H2,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid?
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1369639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).