methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate

C17H18ClNO2 — CID 106817672

IUPACmethyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-13(10-14(11)18)16(17(20)21-3)19-15-7-5-4-6-12(15)2/h4-10,16,19H,1-3H3
InChIKeyASBBUYIFCUYVEH-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.28
Rot. Bonds4

About methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate

methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate (PubChem CID 106817672) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
PubChem CID106817672
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namemethyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-13(10-14(11)18)16(17(20)21-3)19-15-7-5-4-6-12(15)2/h4-10,16,19H,1-3H3
InChIKeyASBBUYIFCUYVEH-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)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

2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate?
The IUPAC name of methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate (CID 106817672) is methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate?
The canonical SMILES for methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate is COC(=O)C(Nc1ccccc1C)c1ccc(C)c(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate?
The InChIKey is ASBBUYIFCUYVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-8-9-13(10-14(11)18)16(17(20)21-3)19-15-7-5-4-6-12(15)2/h4-10,16,19H,1-3H3.
What are the key properties of methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate?
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate has a molecular weight of 303.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate is sourced from PubChem (CID 106817672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).