methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate

C16H16ClNO3 — CID 60993728

IUPACmethyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-14-6-4-3-5-13(14)18-15(16(19)21-2)11-7-9-12(17)10-8-11/h3-10,15,18H,1-2H3
InChIKeyXKSIXOQVPPUDJB-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate

methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate (PubChem CID 60993728) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
PubChem CID60993728
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-14-6-4-3-5-13(14)18-15(16(19)21-2)11-7-9-12(17)10-8-11/h3-10,15,18H,1-2H3
InChIKeyXKSIXOQVPPUDJB-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
CID 60993730
2-(5-chloro-2-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 114843540
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
CID 10980515
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate (CID 60993728) is methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate is COC(=O)C(Nc1ccccc1OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate?
The InChIKey is XKSIXOQVPPUDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14-6-4-3-5-13(14)18-15(16(19)21-2)11-7-9-12(17)10-8-11/h3-10,15,18H,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate?
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate has a molecular weight of 305.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate is sourced from PubChem (CID 60993728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).