4-(4-chloro-N-methylanilino)butanoic acid

C11H14ClNO2 — CID 19918557

IUPAC4-(4-chloro-N-methylanilino)butanoic acid
SMILESCN(CCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-13(8-2-3-11(14)15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyMKFMGYNOUJNFQD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.64
Rot. Bonds5

About 4-(4-chloro-N-methylanilino)butanoic acid

4-(4-chloro-N-methylanilino)butanoic acid (PubChem CID 19918557) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(4-chloro-N-methylanilino)butanoic acid.

Molecular Properties

Compound Name4-(4-chloro-N-methylanilino)butanoic acid
PubChem CID19918557
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(4-chloro-N-methylanilino)butanoic acid
SMILESCN(CCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-13(8-2-3-11(14)15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyMKFMGYNOUJNFQD-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-N-methylanilino)butanoic 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

4-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 100518153
4-(3,5-dichloro-N-methylanilino)butanoic acid
CID 100520237
5-(N-methyl-4-propan-2-ylanilino)pentanoic acid
CID 115218927
4-(4-ethylsulfonyl-N-methylanilino)butanoic acid
CID 43453320
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
4-(4-chloro-N-methyl-2-nitroanilino)butanoic acid
CID 43329711
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
3-(N-methyl-4-propan-2-ylanilino)propanoic acid
CID 17244983
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
5-(4-chloro-N-ethylanilino)-5-oxopentanoic acid
CID 59823928
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-N-methylanilino)butanoic acid?
The IUPAC name of 4-(4-chloro-N-methylanilino)butanoic acid (CID 19918557) is 4-(4-chloro-N-methylanilino)butanoic acid.
What is the SMILES notation for 4-(4-chloro-N-methylanilino)butanoic acid?
The canonical SMILES for 4-(4-chloro-N-methylanilino)butanoic acid is CN(CCCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloro-N-methylanilino)butanoic acid?
The InChIKey is MKFMGYNOUJNFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13(8-2-3-11(14)15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 4-(4-chloro-N-methylanilino)butanoic acid?
4-(4-chloro-N-methylanilino)butanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-N-methylanilino)butanoic acid is sourced from PubChem (CID 19918557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).