2-[4-(phenylcarbamoyl)phenoxy]acetic acid

C15H13NO4 — CID 28762607

IUPAC2-[4-(phenylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c17-14(18)10-20-13-8-6-11(7-9-13)15(19)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKeyFWZWHWDEUAVUHW-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-(phenylcarbamoyl)phenoxy]acetic acid

2-[4-(phenylcarbamoyl)phenoxy]acetic acid (PubChem CID 28762607) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[4-(phenylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(phenylcarbamoyl)phenoxy]acetic acid
PubChem CID28762607
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[4-(phenylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c17-14(18)10-20-13-8-6-11(7-9-13)15(19)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKeyFWZWHWDEUAVUHW-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidophenoxy)acetic acid
CID 3830392
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(phenylcarbamoyl)phenoxy]acetic acid (CID 28762607) is 2-[4-(phenylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(phenylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(phenylcarbamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[4-(phenylcarbamoyl)phenoxy]acetic acid?
The InChIKey is FWZWHWDEUAVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(18)10-20-13-8-6-11(7-9-13)15(19)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)(H,17,18).
What are the key properties of 2-[4-(phenylcarbamoyl)phenoxy]acetic acid?
2-[4-(phenylcarbamoyl)phenoxy]acetic acid has a molecular weight of 271.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 28762607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).