[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

C18H17Cl2NO4 — CID 7705021

IUPAC[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-11(18(23)21-15-9-13(19)8-14(20)10-15)25-17(22)7-12-3-5-16(24-2)6-4-12/h3-6,8-11H,7H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyOASXRHVJRBNIOI-NSHDSACASA-N
MW382.24 g/mol
LogP4.11
Rot. Bonds6

About [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 7705021) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
PubChem CID7705021
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-11(18(23)21-15-9-13(19)8-14(20)10-15)25-17(22)7-12-3-5-16(24-2)6-4-12/h3-6,8-11H,7H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyOASXRHVJRBNIOI-NSHDSACASA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate 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

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705335
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 40747138
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7146984
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751650
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011640

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate (CID 7705021) is [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is OASXRHVJRBNIOI-NSHDSACASA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-11(18(23)21-15-9-13(19)8-14(20)10-15)25-17(22)7-12-3-5-16(24-2)6-4-12/h3-6,8-11H,7H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 382.24 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7705021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).