2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid

C15H11Cl2NO4 — CID 22554

IUPAC2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c16-10-6-5-9(7-11(10)17)15(21)18-12-3-1-2-4-13(12)22-8-14(19)20/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyTVQRUKZAWSJVRX-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid

2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid (PubChem CID 22554) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
PubChem CID22554
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c16-10-6-5-9(7-11(10)17)15(21)18-12-3-1-2-4-13(12)22-8-14(19)20/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyTVQRUKZAWSJVRX-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid (CID 22554) is 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid?
The InChIKey is TVQRUKZAWSJVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-10-6-5-9(7-11(10)17)15(21)18-12-3-1-2-4-13(12)22-8-14(19)20/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid?
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid has a molecular weight of 340.16 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 22554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).