2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid

C12H14Cl2N2O4 — CID 79463433

IUPAC2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESCc1ccc(Cl)c(NC(=O)NCCOCC(=O)O)c1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-7-2-3-8(13)11(10(7)14)16-12(19)15-4-5-20-6-9(17)18/h2-3H,4-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyFMHTVJNCLQIBDN-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463433) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463433
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Name2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESCc1ccc(Cl)c(NC(=O)NCCOCC(=O)O)c1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-7-2-3-8(13)11(10(7)14)16-12(19)15-4-5-20-6-9(17)18/h2-3H,4-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyFMHTVJNCLQIBDN-UHFFFAOYSA-N
XLogP2.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic 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-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
4-[(2,6-dichloro-3-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072588
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid (CID 79463433) is 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid is Cc1ccc(Cl)c(NC(=O)NCCOCC(=O)O)c1Cl.
What is the InChIKey of 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is FMHTVJNCLQIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-7-2-3-8(13)11(10(7)14)16-12(19)15-4-5-20-6-9(17)18/h2-3H,4-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 321.16 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).