methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate

C16H16ClNO3 — CID 104816532

IUPACmethyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1c(Cl)cccc1OC
InChIInChI=1S/C16H16ClNO3/c1-20-13-10-6-9-12(17)14(13)15(16(19)21-2)18-11-7-4-3-5-8-11/h3-10,15,18H,1-2H3
InChIKeyNCFOQIYLOITDAT-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate

methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate (PubChem CID 104816532) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
PubChem CID104816532
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1c(Cl)cccc1OC
InChIInChI=1S/C16H16ClNO3/c1-20-13-10-6-9-12(17)14(13)15(16(19)21-2)18-11-7-4-3-5-8-11/h3-10,15,18H,1-2H3
InChIKeyNCFOQIYLOITDAT-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

2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
methyl 2-anilinopropanoate
CID 3417283
4-amino-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 117361097

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate?
The IUPAC name of methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate (CID 104816532) is methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate is COC(=O)C(Nc1ccccc1)c1c(Cl)cccc1OC.
What is the InChIKey of methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate?
The InChIKey is NCFOQIYLOITDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-13-10-6-9-12(17)14(13)15(16(19)21-2)18-11-7-4-3-5-8-11/h3-10,15,18H,1-2H3.
What are the key properties of methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate?
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)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-anilino-2-(2-chloro-6-methoxyphenyl)acetate is sourced from PubChem (CID 104816532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).