[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate

C19H19ClN2O4 — CID 31395856

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C19H19ClN2O4/c1-11(17-6-4-5-7-18(17)20)26-19(25)14-8-15(21-12(2)23)10-16(9-14)22-13(3)24/h4-11H,1-3H3,(H,21,23)(H,22,24)/t11-/m1/s1
InChIKeyWZASZXGBUYZGPI-LLVKDONJSA-N
MW374.82 g/mol
LogP4.17
Rot. Bonds5

About [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate

[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate (PubChem CID 31395856) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate
PubChem CID31395856
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C19H19ClN2O4/c1-11(17-6-4-5-7-18(17)20)26-19(25)14-8-15(21-12(2)23)10-16(9-14)22-13(3)24/h4-11H,1-3H3,(H,21,23)(H,22,24)/t11-/m1/s1
InChIKeyWZASZXGBUYZGPI-LLVKDONJSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362919
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209531
1-(2-chlorophenyl)ethyl 4-methylsulfinylbenzoate
CID 18192610
[(1R)-1-(2-chlorophenyl)ethyl] 4-nitrobenzoate
CID 7834985
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CID 18081790
1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate
CID 18083132
[(1S)-1-(2-chlorophenyl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841856
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722
[(1S)-1-(2-chlorophenyl)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 41104549
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate (CID 31395856) is [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)c2ccccc2Cl)c1.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate?
The InChIKey is WZASZXGBUYZGPI-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11(17-6-4-5-7-18(17)20)26-19(25)14-8-15(21-12(2)23)10-16(9-14)22-13(3)24/h4-11H,1-3H3,(H,21,23)(H,22,24)/t11-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate?
[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate has a molecular weight of 374.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate is sourced from PubChem (CID 31395856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).