[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

C19H20ClNO3 — CID 7984759

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)cc1Cl
InChIInChI=1S/C19H20ClNO3/c1-13-9-10-15(11-16(13)20)21-17(22)12-24-18(23)19(2,3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyTYZARLRAKMAVPW-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.11
Rot. Bonds5

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 7984759) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID7984759
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)cc1Cl
InChIInChI=1S/C19H20ClNO3/c1-13-9-10-15(11-16(13)20)21-17(22)12-24-18(23)19(2,3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyTYZARLRAKMAVPW-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191563
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191557
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931151
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
CID 7984597
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931119
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 9060900
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568243

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 7984759) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is Cc1ccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is TYZARLRAKMAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-9-10-15(11-16(13)20)21-17(22)12-24-18(23)19(2,3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 345.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).