[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

C19H19Cl2NO3 — CID 7984592

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NO3/c1-19(2,14-6-4-3-5-7-14)18(24)25-12-17(23)22-11-13-8-9-15(20)10-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,23)
InChIKeyPLVIDPYDHMWUSH-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.13
Rot. Bonds6

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 7984592) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID7984592
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NO3/c1-19(2,14-6-4-3-5-7-14)18(24)25-12-17(23)22-11-13-8-9-15(20)10-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,23)
InChIKeyPLVIDPYDHMWUSH-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931151
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7891762
1-(2,4-dichlorophenyl)-3-methyl-3-phenylbutan-2-one
CID 63409988
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931119
2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 6905651
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 7984592) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is PLVIDPYDHMWUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-19(2,14-6-4-3-5-7-14)18(24)25-12-17(23)22-11-13-8-9-15(20)10-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,23).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 380.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).