2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid

C15H13Cl2NO2 — CID 115462106

IUPAC2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-12-6-3-7-13(17)15(12)18-9-11-5-2-1-4-10(11)8-14(19)20/h1-7,18H,8-9H2,(H,19,20)
InChIKeyIYGPHJCTLCMRSA-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.23
Rot. Bonds5

About 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid

2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid (PubChem CID 115462106) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
PubChem CID115462106
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-12-6-3-7-13(17)15(12)18-9-11-5-2-1-4-10(11)8-14(19)20/h1-7,18H,8-9H2,(H,19,20)
InChIKeyIYGPHJCTLCMRSA-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
CID 115461558
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine
CID 64680255
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
CID 172781001
CID 172781001
CID 172781038
CID 172781038

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid (CID 115462106) is 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid?
The InChIKey is IYGPHJCTLCMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-6-3-7-13(17)15(12)18-9-11-5-2-1-4-10(11)8-14(19)20/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid?
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid has a molecular weight of 310.18 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 115462106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).