2-(3-chloro-4-methyl-N-propylanilino)acetic acid

C12H16ClNO2 — CID 83561354

IUPAC2-(3-chloro-4-methyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-6-14(8-12(15)16)10-5-4-9(2)11(13)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyFHXMOUABJBJBGV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.95
Rot. Bonds5

About 2-(3-chloro-4-methyl-N-propylanilino)acetic acid

2-(3-chloro-4-methyl-N-propylanilino)acetic acid (PubChem CID 83561354) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-propylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-propylanilino)acetic acid
PubChem CID83561354
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(3-chloro-4-methyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-6-14(8-12(15)16)10-5-4-9(2)11(13)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyFHXMOUABJBJBGV-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-methyl-N-propylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-(3-methyl-4-nitro-N-propylanilino)acetic acid
CID 61009102
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519
2-(N-(3-ethoxy-3-oxopropyl)-3,4-dimethylanilino)acetic acid
CID 23053111
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
CID 61007224
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-propylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-4-methyl-N-propylanilino)acetic acid (CID 83561354) is 2-(3-chloro-4-methyl-N-propylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-propylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-4-methyl-N-propylanilino)acetic acid is CCCN(CC(=O)O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methyl-N-propylanilino)acetic acid?
The InChIKey is FHXMOUABJBJBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-6-14(8-12(15)16)10-5-4-9(2)11(13)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-chloro-4-methyl-N-propylanilino)acetic acid?
2-(3-chloro-4-methyl-N-propylanilino)acetic acid has a molecular weight of 241.72 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-propylanilino)acetic acid is sourced from PubChem (CID 83561354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).