3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid

C22H19NO4 — CID 164625380

IUPAC3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
SMILESCc1cccc(COc2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1
InChIInChI=1S/C22H19NO4/c1-15-5-2-6-16(11-15)14-27-20-10-4-7-17(13-20)21(24)23-19-9-3-8-18(12-19)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQASAZCLDRCQIDF-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.52
Rot. Bonds6

About 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid

3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid (PubChem CID 164625380) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
PubChem CID164625380
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
SMILESCc1cccc(COc2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1
InChIInChI=1S/C22H19NO4/c1-15-5-2-6-16(11-15)14-27-20-10-4-7-17(13-20)21(24)23-19-9-3-8-18(12-19)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQASAZCLDRCQIDF-UHFFFAOYSA-N
XLogP4.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 38735897
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 37262028
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid (CID 164625380) is 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid is Cc1cccc(COc2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1.
What is the InChIKey of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid?
The InChIKey is QASAZCLDRCQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-5-2-6-16(11-15)14-27-20-10-4-7-17(13-20)21(24)23-19-9-3-8-18(12-19)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid?
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid is sourced from PubChem (CID 164625380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).