2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid

C16H15NO4 — CID 20976229

IUPAC2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid
SMILESCNC(=O)c1ccccc1-c1ccccc1OCC(=O)O
InChIInChI=1S/C16H15NO4/c1-17-16(20)13-8-3-2-6-11(13)12-7-4-5-9-14(12)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIATGYQVHBPIPNA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid

2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid (PubChem CID 20976229) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid
PubChem CID20976229
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid
SMILESCNC(=O)c1ccccc1-c1ccccc1OCC(=O)O
InChIInChI=1S/C16H15NO4/c1-17-16(20)13-8-3-2-6-11(13)12-7-4-5-9-14(12)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIATGYQVHBPIPNA-UHFFFAOYSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
CID 155801592
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-[2-(2-hydroxyacetyl)phenoxy]acetic acid
CID 23600039
CID 131854846
CID 131854846
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate
CID 23684825
N-ethyl-2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenyl]-N-phenylbenzamide
CID 102087001
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid (CID 20976229) is 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid is CNC(=O)c1ccccc1-c1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid?
The InChIKey is IATGYQVHBPIPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17-16(20)13-8-3-2-6-11(13)12-7-4-5-9-14(12)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid?
2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 20976229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).