2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid

C15H14ClNO3 — CID 60991192

IUPAC2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-13-7-5-12(6-8-13)17-14(15(18)19)10-3-2-4-11(16)9-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJIYOKCJFFMWGPI-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.59
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid

2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid (PubChem CID 60991192) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
PubChem CID60991192
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-13-7-5-12(6-8-13)17-14(15(18)19)10-3-2-4-11(16)9-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJIYOKCJFFMWGPI-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

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
methyl (3S)-3-(3-chlorophenyl)-3-(4-methoxyanilino)propanoate
CID 102577754
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 81146886
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid (CID 60991192) is 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid is COc1ccc(NC(C(=O)O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid?
The InChIKey is JIYOKCJFFMWGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-13-7-5-12(6-8-13)17-14(15(18)19)10-3-2-4-11(16)9-10/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid?
2-(3-chlorophenyl)-2-(4-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 2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid is sourced from PubChem (CID 60991192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).