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

C19H18ClNO4 — CID 110428348

IUPACethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClNO4/c1-2-25-19(24)14-8-4-6-10-16(14)21-18(23)12-11-17(22)13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyUWMCHWUMQJYOLM-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.12
Rot. Bonds7

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

ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate (PubChem CID 110428348) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
PubChem CID110428348
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Nameethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClNO4/c1-2-25-19(24)14-8-4-6-10-16(14)21-18(23)12-11-17(22)13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyUWMCHWUMQJYOLM-UHFFFAOYSA-N
XLogP4.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate (CID 110428348) is ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The InChIKey is UWMCHWUMQJYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-2-25-19(24)14-8-4-6-10-16(14)21-18(23)12-11-17(22)13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate has a molecular weight of 359.81 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 110428348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).