2-(3-chloroanilino)acetic acid

C8H8ClNO2 — CID 3780319

IUPAC2-(3-chloroanilino)acetic acid
SMILESO=C(O)CNc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c9-6-2-1-3-7(4-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyKZXFAYGKDCLTER-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-chloroanilino)acetic acid

2-(3-chloroanilino)acetic acid (PubChem CID 3780319) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-(3-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)acetic acid
PubChem CID3780319
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-(3-chloroanilino)acetic acid
SMILESO=C(O)CNc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c9-6-2-1-3-7(4-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyKZXFAYGKDCLTER-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)acetic acid?
The IUPAC name of 2-(3-chloroanilino)acetic acid (CID 3780319) is 2-(3-chloroanilino)acetic acid.
What is the SMILES notation for 2-(3-chloroanilino)acetic acid?
The canonical SMILES for 2-(3-chloroanilino)acetic acid is O=C(O)CNc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)acetic acid?
The InChIKey is KZXFAYGKDCLTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-6-2-1-3-7(4-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12).
What are the key properties of 2-(3-chloroanilino)acetic acid?
2-(3-chloroanilino)acetic acid has a molecular weight of 185.61 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)acetic acid is sourced from PubChem (CID 3780319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).