methyl 2-(2-phenylanilino)acetate

C15H15NO2 — CID 28569437

IUPACmethyl 2-(2-phenylanilino)acetate
SMILESCOC(=O)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-18-15(17)11-16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3
InChIKeyOTCQALMDEIGRAN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.94
Rot. Bonds4

About methyl 2-(2-phenylanilino)acetate

methyl 2-(2-phenylanilino)acetate (PubChem CID 28569437) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-(2-phenylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-phenylanilino)acetate
PubChem CID28569437
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-(2-phenylanilino)acetate
SMILESCOC(=O)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-18-15(17)11-16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3
InChIKeyOTCQALMDEIGRAN-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate
CID 104643617
methyl 2-[2-(N-methylanilino)anilino]acetate
CID 47313605
2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
CID 82539674
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421
N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
N-(2-methoxyethyl)-2-phenylaniline
CID 28569408
2-[2-(4-aminophenyl)anilino]acetic acid
CID 22051456
2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
CID 42068134
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
methyl 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]sulfanylacetate
CID 29352228

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylanilino)acetate?
The IUPAC name of methyl 2-(2-phenylanilino)acetate (CID 28569437) is methyl 2-(2-phenylanilino)acetate.
What is the SMILES notation for methyl 2-(2-phenylanilino)acetate?
The canonical SMILES for methyl 2-(2-phenylanilino)acetate is COC(=O)CNc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 2-(2-phenylanilino)acetate?
The InChIKey is OTCQALMDEIGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15(17)11-16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3.
What are the key properties of methyl 2-(2-phenylanilino)acetate?
methyl 2-(2-phenylanilino)acetate has a molecular weight of 241.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylanilino)acetate is sourced from PubChem (CID 28569437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).