methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate

C10H10Cl2FNO2 — CID 83079052

IUPACmethyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
SMILESCOC(=O)CCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H10Cl2FNO2/c1-16-9(15)2-3-14-10-7(11)4-6(13)5-8(10)12/h4-5,14H,2-3H2,1H3
InChIKeyAOSJTTRTLGQEKJ-UHFFFAOYSA-N
MW266.10 g/mol
LogP3.11
Rot. Bonds4

About methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate

methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate (PubChem CID 83079052) has the molecular formula C10H10Cl2FNO2 and a molecular weight of 266.10 g/mol. Its IUPAC name is methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
PubChem CID83079052
Molecular FormulaC10H10Cl2FNO2
Molecular Weight266.10 g/mol
Exact Mass265.01
IUPAC Namemethyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
SMILESCOC(=O)CCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H10Cl2FNO2/c1-16-9(15)2-3-14-10-7(11)4-6(13)5-8(10)12/h4-5,14H,2-3H2,1H3
InChIKeyAOSJTTRTLGQEKJ-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate 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

methyl 3-(4-amino-2,6-dichloroanilino)propanoate
CID 106890049
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850
methyl 3-(2-amino-3,5-difluoroanilino)propanoate
CID 115506688
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
CID 83079185
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
methyl 3-(3,4-difluoroanilino)propanoate
CID 43365403
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
CID 130837002
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103179366
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate?
The IUPAC name of methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate (CID 83079052) is methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate.
What is the SMILES notation for methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate?
The canonical SMILES for methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate is COC(=O)CCNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate?
The InChIKey is AOSJTTRTLGQEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO2/c1-16-9(15)2-3-14-10-7(11)4-6(13)5-8(10)12/h4-5,14H,2-3H2,1H3.
What are the key properties of methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate?
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate has a molecular weight of 266.10 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate is sourced from PubChem (CID 83079052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).