(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid

C15H14ClNO3 — CID 7148168

IUPAC(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1N[C@@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-13-5-3-2-4-12(13)17-14(15(18)19)10-6-8-11(16)9-7-10/h2-9,14,17H,1H3,(H,18,19)/t14-/m1/s1
InChIKeyAHNKKAPYEZRNRH-CQSZACIVSA-N
MW291.73 g/mol
LogP3.59
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid

(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid (PubChem CID 7148168) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
PubChem CID7148168
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1N[C@@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-13-5-3-2-4-12(13)17-14(15(18)19)10-6-8-11(16)9-7-10/h2-9,14,17H,1H3,(H,18,19)/t14-/m1/s1
InChIKeyAHNKKAPYEZRNRH-CQSZACIVSA-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

methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250
2-(5-chloro-2-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 114843540
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 54890874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid (CID 7148168) is (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid is COc1ccccc1N[C@@H](C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid?
The InChIKey is AHNKKAPYEZRNRH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-13-5-3-2-4-12(13)17-14(15(18)19)10-6-8-11(16)9-7-10/h2-9,14,17H,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid?
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)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 (2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid is sourced from PubChem (CID 7148168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).