2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid

C15H14ClNO3 — CID 60991114

IUPAC2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2Cl)C(=O)O)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-11-8-6-10(7-9-11)14(15(18)19)17-13-5-3-2-4-12(13)16/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJWLMYCVSCJUFOS-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid

2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid (PubChem CID 60991114) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
PubChem CID60991114
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2Cl)C(=O)O)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-11-8-6-10(7-9-11)14(15(18)19)17-13-5-3-2-4-12(13)16/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJWLMYCVSCJUFOS-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-[(2-acetylthiophen-3-yl)amino]-2-(4-methoxyphenyl)acetic acid;ethane
CID 143870432
ethane;2-(4-methoxyphenyl)-2-[(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)amino]acetic acid
CID 143870442

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid (CID 60991114) is 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(Nc2ccccc2Cl)C(=O)O)cc1.
What is the InChIKey of 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is JWLMYCVSCJUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-11-8-6-10(7-9-11)14(15(18)19)17-13-5-3-2-4-12(13)16/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 291.73 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 60991114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).