ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate

C17H16ClNO3 — CID 873944

IUPACethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-22-17(21)13-5-9-15(10-6-13)19-16(20)11-12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyXTUOLVARBBEJRJ-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.70
Rot. Bonds5

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

ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate (PubChem CID 873944) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate
PubChem CID873944
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Nameethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-22-17(21)13-5-9-15(10-6-13)19-16(20)11-12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyXTUOLVARBBEJRJ-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate (CID 873944) is ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate?
The InChIKey is XTUOLVARBBEJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-2-22-17(21)13-5-9-15(10-6-13)19-16(20)11-12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate?
ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate has a molecular weight of 317.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chlorophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 873944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).