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

C15H13Cl2NO3 — CID 104816535

IUPAC2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(Cl)c1C(Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C15H13Cl2NO3/c1-21-12-7-3-6-11(17)13(12)14(15(19)20)18-10-5-2-4-9(16)8-10/h2-8,14,18H,1H3,(H,19,20)
InChIKeyORZZMEOSYYPRBY-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.24
Rot. Bonds5

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

2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid (PubChem CID 104816535) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
PubChem CID104816535
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(Cl)c1C(Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C15H13Cl2NO3/c1-21-12-7-3-6-11(17)13(12)14(15(19)20)18-10-5-2-4-9(16)8-10/h2-8,14,18H,1H3,(H,19,20)
InChIKeyORZZMEOSYYPRBY-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

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
2-(3-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
CID 61006415
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488151
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid (CID 104816535) is 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid is COc1cccc(Cl)c1C(Nc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid?
The InChIKey is ORZZMEOSYYPRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-21-12-7-3-6-11(17)13(12)14(15(19)20)18-10-5-2-4-9(16)8-10/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid?
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)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-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid is sourced from PubChem (CID 104816535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).