[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate

C18H18ClNO3 — CID 7775657

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO3/c1-3-13-4-6-14(7-5-13)18(22)23-12(2)17(21)20-16-10-8-15(19)9-11-16/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyCTMDLNSYKQUAQY-GFCCVEGCSA-N
MW331.80 g/mol
LogP4.09
Rot. Bonds5

About [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate (PubChem CID 7775657) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
PubChem CID7775657
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO3/c1-3-13-4-6-14(7-5-13)18(22)23-12(2)17(21)20-16-10-8-15(19)9-11-16/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyCTMDLNSYKQUAQY-GFCCVEGCSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate with MolForge

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Related Compounds

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7796753
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985418
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-ethylbenzoate
CID 7775654
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7709575
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834702
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 7793879
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275030
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
CID 55404159
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 2606991

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate (CID 7775657) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate is CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate?
The InChIKey is CTMDLNSYKQUAQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-3-13-4-6-14(7-5-13)18(22)23-12(2)17(21)20-16-10-8-15(19)9-11-16/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate has a molecular weight of 331.80 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate is sourced from PubChem (CID 7775657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).