2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid

C16H16ClNO3 — CID 104816539

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
SMILESCOc1cccc(Cl)c1C(Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H16ClNO3/c1-10-5-3-6-11(9-10)18-15(16(19)20)14-12(17)7-4-8-13(14)21-2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyQEYHIQRJSLJYCA-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.89
Rot. Bonds5

About 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid

2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid (PubChem CID 104816539) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
PubChem CID104816539
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
SMILESCOc1cccc(Cl)c1C(Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H16ClNO3/c1-10-5-3-6-11(9-10)18-15(16(19)20)14-12(17)7-4-8-13(14)21-2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyQEYHIQRJSLJYCA-UHFFFAOYSA-N
XLogP3.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid (CID 104816539) is 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid is COc1cccc(Cl)c1C(Nc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The InChIKey is QEYHIQRJSLJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-5-3-6-11(9-10)18-15(16(19)20)14-12(17)7-4-8-13(14)21-2/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid?
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid has a molecular weight of 305.76 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid is sourced from PubChem (CID 104816539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).