[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate

C16H14Cl2N2O3 — CID 175490190

IUPAC[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate
SMILESO=C(CNc1ccccc1Cl)OC(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-11-5-1-3-7-13(11)19-9-15(21)23-16(22)10-20-14-8-4-2-6-12(14)18/h1-8,19-20H,9-10H2
InChIKeyVFIQSYHXHUSJOB-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.59
Rot. Bonds6

About [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate

[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate (PubChem CID 175490190) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate
PubChem CID175490190
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate
SMILESO=C(CNc1ccccc1Cl)OC(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-11-5-1-3-7-13(11)19-9-15(21)23-16(22)10-20-14-8-4-2-6-12(14)18/h1-8,19-20H,9-10H2
InChIKeyVFIQSYHXHUSJOB-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate 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

hydroxycarbamoyl 2-(2-chloroanilino)acetate
CID 175058380
2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
tert-butyl 2-(3-chloro-2-methylanilino)acetate
CID 60679121
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
(4-methyl-2-oxochromen-7-yl) 2-(2-chloroanilino)acetate
CID 54771855
N-benzyl-2-(2-chloroanilino)-N-phenylacetamide
CID 109008415

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate?
The IUPAC name of [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate (CID 175490190) is [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate.
What is the SMILES notation for [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate?
The canonical SMILES for [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate is O=C(CNc1ccccc1Cl)OC(=O)CNc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate?
The InChIKey is VFIQSYHXHUSJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-5-1-3-7-13(11)19-9-15(21)23-16(22)10-20-14-8-4-2-6-12(14)18/h1-8,19-20H,9-10H2.
What are the key properties of [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate?
[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate has a molecular weight of 353.21 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate is sourced from PubChem (CID 175490190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).