2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid

C15H14ClNO2 — CID 14762933

IUPAC2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid
SMILESCc1cccc(Cl)c1Nc1ccccc1CC(=O)O
InChIInChI=1S/C15H14ClNO2/c1-10-5-4-7-12(16)15(10)17-13-8-3-2-6-11(13)9-14(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyPQOGEFXKUUCLAX-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid

2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid (PubChem CID 14762933) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid
PubChem CID14762933
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid
SMILESCc1cccc(Cl)c1Nc1ccccc1CC(=O)O
InChIInChI=1S/C15H14ClNO2/c1-10-5-4-7-12(16)15(10)17-13-8-3-2-6-11(13)9-14(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyPQOGEFXKUUCLAX-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid (CID 14762933) is 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid is Cc1cccc(Cl)c1Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid?
The InChIKey is PQOGEFXKUUCLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-5-4-7-12(16)15(10)17-13-8-3-2-6-11(13)9-14(18)19/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid?
2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid has a molecular weight of 275.74 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-methylanilino)phenyl]acetic acid is sourced from PubChem (CID 14762933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).