2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid

C23H20N2O5 — CID 3306874

IUPAC2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
SMILESCc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C23H20N2O5/c1-15-7-2-5-12-20(15)30-14-21(26)24-16-8-6-9-17(13-16)25-22(27)18-10-3-4-11-19(18)23(28)29/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeySJVXBZSRXOPYJG-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.96
Rot. Bonds7

About 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid

2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid (PubChem CID 3306874) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
PubChem CID3306874
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
SMILESCc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C23H20N2O5/c1-15-7-2-5-12-20(15)30-14-21(26)24-16-8-6-9-17(13-16)25-22(27)18-10-3-4-11-19(18)23(28)29/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeySJVXBZSRXOPYJG-UHFFFAOYSA-N
XLogP3.96
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
2-chloro-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 35767797
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
2-[[3-(3-oxobutanoylamino)phenyl]carbamoyl]benzoic acid
CID 139947577
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid (CID 3306874) is 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid is Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid?
The InChIKey is SJVXBZSRXOPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-15-7-2-5-12-20(15)30-14-21(26)24-16-8-6-9-17(13-16)25-22(27)18-10-3-4-11-19(18)23(28)29/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid?
2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid has a molecular weight of 404.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 3306874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).