2-(2-chloro-5-methylanilino)acetic acid

C9H10ClNO2 — CID 103691548

IUPAC2-(2-chloro-5-methylanilino)acetic acid
SMILESCc1ccc(Cl)c(NCC(=O)O)c1
InChIInChI=1S/C9H10ClNO2/c1-6-2-3-7(10)8(4-6)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyVFGMQXFZDBEZAJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-chloro-5-methylanilino)acetic acid

2-(2-chloro-5-methylanilino)acetic acid (PubChem CID 103691548) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)acetic acid
PubChem CID103691548
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(2-chloro-5-methylanilino)acetic acid
SMILESCc1ccc(Cl)c(NCC(=O)O)c1
InChIInChI=1S/C9H10ClNO2/c1-6-2-3-7(10)8(4-6)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyVFGMQXFZDBEZAJ-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-benzyl-2-chloro-5-methylaniline
CID 83290853
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
3-[tert-butyl-[(2-chloro-5-methylphenyl)carbamoyl]amino]propanoic acid
CID 107627589

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)acetic acid?
The IUPAC name of 2-(2-chloro-5-methylanilino)acetic acid (CID 103691548) is 2-(2-chloro-5-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)acetic acid?
The canonical SMILES for 2-(2-chloro-5-methylanilino)acetic acid is Cc1ccc(Cl)c(NCC(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-methylanilino)acetic acid?
The InChIKey is VFGMQXFZDBEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-2-3-7(10)8(4-6)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-5-methylanilino)acetic acid?
2-(2-chloro-5-methylanilino)acetic acid has a molecular weight of 199.64 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)acetic acid is sourced from PubChem (CID 103691548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).