methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate

C13H16ClNO5 — CID 103606710

IUPACmethyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
SMILESCOCCOCC(=O)Nc1cc(C(=O)OC)ccc1Cl
InChIInChI=1S/C13H16ClNO5/c1-18-5-6-20-8-12(16)15-11-7-9(13(17)19-2)3-4-10(11)14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyRSOPAPLVZDZCNN-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.73
Rot. Bonds7

About methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate

methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate (PubChem CID 103606710) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
PubChem CID103606710
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Namemethyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
SMILESCOCCOCC(=O)Nc1cc(C(=O)OC)ccc1Cl
InChIInChI=1S/C13H16ClNO5/c1-18-5-6-20-8-12(16)15-11-7-9(13(17)19-2)3-4-10(11)14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyRSOPAPLVZDZCNN-UHFFFAOYSA-N
XLogP1.73
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate 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

methyl 3-[[2-(2-aminoethoxy)acetyl]amino]-4-chlorobenzoate
CID 79473643
methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926
2-[2-(2-chloro-4-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 67165862
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate (CID 103606710) is methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate is COCCOCC(=O)Nc1cc(C(=O)OC)ccc1Cl.
What is the InChIKey of methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The InChIKey is RSOPAPLVZDZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5/c1-18-5-6-20-8-12(16)15-11-7-9(13(17)19-2)3-4-10(11)14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate has a molecular weight of 301.73 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate is sourced from PubChem (CID 103606710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).