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

C13H16ClNO3 — CID 7782489

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-8(2)13(17)18-9(3)12(16)15-11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyZBTIPLGKDLWETI-SECBINFHSA-N
MW269.73 g/mol
LogP2.87
Rot. Bonds4

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

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate (PubChem CID 7782489) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
PubChem CID7782489
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-8(2)13(17)18-9(3)12(16)15-11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyZBTIPLGKDLWETI-SECBINFHSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821780
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 7776019
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7572772
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750903
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722742

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate (CID 7782489) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
The InChIKey is ZBTIPLGKDLWETI-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8(2)13(17)18-9(3)12(16)15-11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate has a molecular weight of 269.73 g/mol, XLogP of 2.87, 4 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] 2-methylpropanoate is sourced from PubChem (CID 7782489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).