2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid

C14H11Cl2NO2 — CID 156613200

IUPAC2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-2-6-11(16)13(10)9-4-1-3-8(14(9)17)7-12(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyJBHLXRYTPDPCBM-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.87
Rot. Bonds3

About 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid

2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid (PubChem CID 156613200) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid
PubChem CID156613200
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-2-6-11(16)13(10)9-4-1-3-8(14(9)17)7-12(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyJBHLXRYTPDPCBM-UHFFFAOYSA-N
XLogP3.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Diclofenac Impurity 82
CID 9884031
Sodium 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetate
CID 23710990
Sodium 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetate
CID 23710994
Sodium 2-[2-amino-3-[(4-chlorophenyl)-hydroxymethyl]phenyl]acetate
CID 23720688
Ahr 6293
CID 173842
2-Amino-3-benzylbenzeneacetic acid
CID 15634743
(2,6-Dichlorophenyl)-aminophenylacetic acid
CID 21799007
2-Amino-3-benzoyl-5-chlorobenzeneacetic acid
CID 12901227
2-(2-Amino-3-benzoyl-4-chlorophenyl)acetic acid
CID 13408180
2-[2-Amino-3-(2-chlorobenzoyl)phenyl]acetic acid
CID 13408189
2-[2-Amino-3-(3-chlorobenzoyl)phenyl]acetic acid
CID 13408191
2-[2-Amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid
CID 13408197

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid (CID 156613200) is 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid is Nc1c(CC(=O)O)cccc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid?
The InChIKey is JBHLXRYTPDPCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-10-5-2-6-11(16)13(10)9-4-1-3-8(14(9)17)7-12(18)19/h1-6H,7,17H2,(H,18,19).
What are the key properties of 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid?
2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid has a molecular weight of 296.15 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2,6-dichlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 156613200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).