methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate

C17H18ClNO2 — CID 60992232

IUPACmethyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1C)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-12-7-4-5-10-15(12)19-17(2,16(20)21-3)13-8-6-9-14(18)11-13/h4-11,19H,1-3H3
InChIKeyOTACADZRYAYPRX-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.15
Rot. Bonds4

About methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate

methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate (PubChem CID 60992232) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
PubChem CID60992232
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namemethyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1C)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-12-7-4-5-10-15(12)19-17(2,16(20)21-3)13-8-6-9-14(18)11-13/h4-11,19H,1-3H3
InChIKeyOTACADZRYAYPRX-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
CID 60992627
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996438
2-(2,5-dichlorophenyl)-2-(2-methylanilino)propanamide
CID 60996311
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate?
The IUPAC name of methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate (CID 60992232) is methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate?
The canonical SMILES for methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate is COC(=O)C(C)(Nc1ccccc1C)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate?
The InChIKey is OTACADZRYAYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-7-4-5-10-15(12)19-17(2,16(20)21-3)13-8-6-9-14(18)11-13/h4-11,19H,1-3H3.
What are the key properties of methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate?
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate has a molecular weight of 303.79 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate is sourced from PubChem (CID 60992232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).