4-(3,5-dichloro-N-methylanilino)butanoic acid

C11H13Cl2NO2 — CID 100520237

IUPAC4-(3,5-dichloro-N-methylanilino)butanoic acid
SMILESCN(CCCC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-14(4-2-3-11(15)16)10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyYUMZRPJVPLHXLK-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.29
Rot. Bonds5

About 4-(3,5-dichloro-N-methylanilino)butanoic acid

4-(3,5-dichloro-N-methylanilino)butanoic acid (PubChem CID 100520237) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-(3,5-dichloro-N-methylanilino)butanoic acid.

Molecular Properties

Compound Name4-(3,5-dichloro-N-methylanilino)butanoic acid
PubChem CID100520237
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name4-(3,5-dichloro-N-methylanilino)butanoic acid
SMILESCN(CCCC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-14(4-2-3-11(15)16)10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyYUMZRPJVPLHXLK-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557
4-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 100518153
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
4-[(3-chloro-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 114454951
3-(3,5-dichloro-N-methylsulfonylanilino)propanoic acid
CID 50892451
5-(N-methyl-4-propan-2-ylanilino)pentanoic acid
CID 115218927
4-(4-chloro-N-methyl-2-nitroanilino)butanoic acid
CID 43329711
4-(2-chloro-5-fluoro-N,4-dimethylanilino)butanoic acid
CID 115218595
4-(4-ethylsulfonyl-N-methylanilino)butanoic acid
CID 43453320
4-[(4-chloro-1,3-thiazol-2-yl)-methylamino]butanoic acid
CID 83153680
5-(3-bromo-N-methylanilino)pentanoic acid
CID 115218995
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-N-methylanilino)butanoic acid?
The IUPAC name of 4-(3,5-dichloro-N-methylanilino)butanoic acid (CID 100520237) is 4-(3,5-dichloro-N-methylanilino)butanoic acid.
What is the SMILES notation for 4-(3,5-dichloro-N-methylanilino)butanoic acid?
The canonical SMILES for 4-(3,5-dichloro-N-methylanilino)butanoic acid is CN(CCCC(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichloro-N-methylanilino)butanoic acid?
The InChIKey is YUMZRPJVPLHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-14(4-2-3-11(15)16)10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-(3,5-dichloro-N-methylanilino)butanoic acid?
4-(3,5-dichloro-N-methylanilino)butanoic acid has a molecular weight of 262.14 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-N-methylanilino)butanoic acid is sourced from PubChem (CID 100520237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).