methyl 2-(2-chloroanilino)-2-methylpropanoate

C11H14ClNO2 — CID 60990978

IUPACmethyl 2-(2-chloroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-11(2,10(14)15-3)13-9-7-5-4-6-8(9)12/h4-7,13H,1-3H3
InChIKeyAFTDKYPJLRIOQC-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.70
Rot. Bonds3

About methyl 2-(2-chloroanilino)-2-methylpropanoate

methyl 2-(2-chloroanilino)-2-methylpropanoate (PubChem CID 60990978) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-(2-chloroanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloroanilino)-2-methylpropanoate
PubChem CID60990978
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-(2-chloroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-11(2,10(14)15-3)13-9-7-5-4-6-8(9)12/h4-7,13H,1-3H3
InChIKeyAFTDKYPJLRIOQC-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(naphthalen-1-ylamino)propanoate
CID 115128312
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
methyl 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868098
ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate
CID 113481768
1-fluoroethyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate
CID 141480693
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate
CID 115128260
2-(2-chloroanilino)-2-phenylpropanamide
CID 54891167
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169
methyl 3-(2-chlorophenyl)-3-methoxy-2,2-dimethylpropanoate
CID 122206433

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroanilino)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-chloroanilino)-2-methylpropanoate (CID 60990978) is methyl 2-(2-chloroanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-chloroanilino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-chloroanilino)-2-methylpropanoate is COC(=O)C(C)(C)Nc1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chloroanilino)-2-methylpropanoate?
The InChIKey is AFTDKYPJLRIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,10(14)15-3)13-9-7-5-4-6-8(9)12/h4-7,13H,1-3H3.
What are the key properties of methyl 2-(2-chloroanilino)-2-methylpropanoate?
methyl 2-(2-chloroanilino)-2-methylpropanoate has a molecular weight of 227.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroanilino)-2-methylpropanoate is sourced from PubChem (CID 60990978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).