[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

C19H19Cl2NO4 — CID 8865308

IUPAC[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCc1cc(C)c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO4/c1-11-8-12(2)18(16(21)9-11)22-17(23)10-25-19(24)13(3)26-15-6-4-14(20)5-7-15/h4-9,13H,10H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyDNDHBYKTWBJBBD-CYBMUJFWSA-N
MW396.27 g/mol
LogP4.56
Rot. Bonds6

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 8865308) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID8865308
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCc1cc(C)c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO4/c1-11-8-12(2)18(16(21)9-11)22-17(23)10-25-19(24)13(3)26-15-6-4-14(20)5-7-15/h4-9,13H,10H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyDNDHBYKTWBJBBD-CYBMUJFWSA-N
XLogP4.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867150
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579062
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864971
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7723024
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323714

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (CID 8865308) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is Cc1cc(C)c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is DNDHBYKTWBJBBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-11-8-12(2)18(16(21)9-11)22-17(23)10-25-19(24)13(3)26-15-6-4-14(20)5-7-15/h4-9,13H,10H2,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 396.27 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8865308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).