ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate

C18H19ClN2O3 — CID 26507234

IUPACethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O3/c1-3-24-18(23)14-6-4-5-7-16(14)21-17(22)11-20-15-9-8-13(19)10-12(15)2/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyOTKYGVFKVOYOBH-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.88
Rot. Bonds6

About ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate

ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate (PubChem CID 26507234) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
PubChem CID26507234
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Nameethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O3/c1-3-24-18(23)14-6-4-5-7-16(14)21-17(22)11-20-15-9-8-13(19)10-12(15)2/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyOTKYGVFKVOYOBH-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate (CID 26507234) is ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)cc1C.
What is the InChIKey of ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate?
The InChIKey is OTKYGVFKVOYOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-24-18(23)14-6-4-5-7-16(14)21-17(22)11-20-15-9-8-13(19)10-12(15)2/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate?
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate has a molecular weight of 346.81 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 26507234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).