2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid

C16H15NO4 — CID 1254973

IUPAC2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid
SMILESCc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C16H15NO4/c1-11-4-2-5-12(8-11)16(20)17-13-6-3-7-14(9-13)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeySKCQCKZKLLVPQE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.71
Rot. Bonds5

About 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid

2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid (PubChem CID 1254973) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid
PubChem CID1254973
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid
SMILESCc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C16H15NO4/c1-11-4-2-5-12(8-11)16(20)17-13-6-3-7-14(9-13)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeySKCQCKZKLLVPQE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid (CID 1254973) is 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid is Cc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid?
The InChIKey is SKCQCKZKLLVPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-4-2-5-12(8-11)16(20)17-13-6-3-7-14(9-13)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid?
2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 1254973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).