[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate

C18H16ClNO4 — CID 7889617

IUPAC[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO4/c1-12(17(22)13-7-9-15(19)10-8-13)24-16(21)11-20-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyBNAQJXBWEJNVJH-GFCCVEGCSA-N
MW345.78 g/mol
LogP2.88
Rot. Bonds6

About [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate

[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate (PubChem CID 7889617) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
PubChem CID7889617
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO4/c1-12(17(22)13-7-9-15(19)10-8-13)24-16(21)11-20-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyBNAQJXBWEJNVJH-GFCCVEGCSA-N
XLogP2.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate with MolForge

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Related Compounds

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 8521447
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 8521819
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 8522923
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879449
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The IUPAC name of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate (CID 7889617) is [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate is C[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The InChIKey is BNAQJXBWEJNVJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-12(17(22)13-7-9-15(19)10-8-13)24-16(21)11-20-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate has a molecular weight of 345.78 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 7889617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).