2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid

C15H13Cl2NO3 — CID 60992556

IUPAC2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO3/c1-21-10-7-5-9(6-8-10)18-14(15(19)20)13-11(16)3-2-4-12(13)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyFYQGAUFXYZGFJY-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.24
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid

2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid (PubChem CID 60992556) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
PubChem CID60992556
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO3/c1-21-10-7-5-9(6-8-10)18-14(15(19)20)13-11(16)3-2-4-12(13)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyFYQGAUFXYZGFJY-UHFFFAOYSA-N
XLogP4.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
4-(2-chlorophenyl)-2-(4-methoxyanilino)but-3-ynoic acid
CID 175604390
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid (CID 60992556) is 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid is COc1ccc(NC(C(=O)O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid?
The InChIKey is FYQGAUFXYZGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-21-10-7-5-9(6-8-10)18-14(15(19)20)13-11(16)3-2-4-12(13)17/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid?
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid has a molecular weight of 326.18 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid is sourced from PubChem (CID 60992556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).