2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid

C10H9Cl2NO5 — CID 63912530

IUPAC2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid
SMILESCOc1c(Cl)cc(C(=O)NOCC(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO5/c1-17-9-6(11)2-5(3-7(9)12)10(16)13-18-4-8(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyWSBRCOTXQYKTLL-UHFFFAOYSA-N
MW294.09 g/mol
LogP1.75
Rot. Bonds5

About 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid

2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid (PubChem CID 63912530) has the molecular formula C10H9Cl2NO5 and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid
PubChem CID63912530
Molecular FormulaC10H9Cl2NO5
Molecular Weight294.09 g/mol
Exact Mass292.99
IUPAC Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid
SMILESCOc1c(Cl)cc(C(=O)NOCC(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO5/c1-17-9-6(11)2-5(3-7(9)12)10(16)13-18-4-8(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyWSBRCOTXQYKTLL-UHFFFAOYSA-N
XLogP1.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
2-[(2,6-dichloropyridine-4-carbonyl)amino]oxyacetic acid
CID 103603441
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
CID 166286482
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821455
5-(3,5-dichloro-4-methoxyphenyl)-5-oxopentanoic acid
CID 19348271
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid (CID 63912530) is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid is COc1c(Cl)cc(C(=O)NOCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid?
The InChIKey is WSBRCOTXQYKTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO5/c1-17-9-6(11)2-5(3-7(9)12)10(16)13-18-4-8(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid?
2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid has a molecular weight of 294.09 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 63912530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).