2-(4-chloro-N-methylanilino)acetic acid

C9H10ClNO2 — CID 23037961

IUPAC2-(4-chloro-N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyNMGRUQGFLZQQKA-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.86
Rot. Bonds3

About 2-(4-chloro-N-methylanilino)acetic acid

2-(4-chloro-N-methylanilino)acetic acid (PubChem CID 23037961) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(4-chloro-N-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-methylanilino)acetic acid
PubChem CID23037961
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(4-chloro-N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyNMGRUQGFLZQQKA-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylanilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-methylanilino)acetic acid (CID 23037961) is 2-(4-chloro-N-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-methylanilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-methylanilino)acetic acid is CN(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylanilino)acetic acid?
The InChIKey is NMGRUQGFLZQQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(4-chloro-N-methylanilino)acetic acid?
2-(4-chloro-N-methylanilino)acetic acid has a molecular weight of 199.64 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylanilino)acetic acid is sourced from PubChem (CID 23037961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).