2-(N-acetyl-4-chloroanilino)acetic acid

C10H10ClNO3 — CID 14484963

IUPAC2-(N-acetyl-4-chloroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-7(13)12(6-10(14)15)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,14,15)
InChIKeyZGNWAMZWJGOIAU-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.78
Rot. Bonds3

About 2-(N-acetyl-4-chloroanilino)acetic acid

2-(N-acetyl-4-chloroanilino)acetic acid (PubChem CID 14484963) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)acetic acid
PubChem CID14484963
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-(N-acetyl-4-chloroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-7(13)12(6-10(14)15)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,14,15)
InChIKeyZGNWAMZWJGOIAU-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)acetic acid (CID 14484963) is 2-(N-acetyl-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)acetic acid is CC(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)acetic acid?
The InChIKey is ZGNWAMZWJGOIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-7(13)12(6-10(14)15)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(N-acetyl-4-chloroanilino)acetic acid?
2-(N-acetyl-4-chloroanilino)acetic acid has a molecular weight of 227.65 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)acetic acid is sourced from PubChem (CID 14484963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).