ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate

C11H13ClFNO2 — CID 115257255

IUPACethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
SMILESCCOC(=O)CNc1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-3-16-11(15)6-14-10-5-9(13)7(2)4-8(10)12/h4-5,14H,3,6H2,1-2H3
InChIKeyDJSGQSAMEGYCJP-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate

ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate (PubChem CID 115257255) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
PubChem CID115257255
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Nameethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
SMILESCCOC(=O)CNc1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-3-16-11(15)6-14-10-5-9(13)7(2)4-8(10)12/h4-5,14H,3,6H2,1-2H3
InChIKeyDJSGQSAMEGYCJP-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate?
The IUPAC name of ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate (CID 115257255) is ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate is CCOC(=O)CNc1cc(F)c(C)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate?
The InChIKey is DJSGQSAMEGYCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-3-16-11(15)6-14-10-5-9(13)7(2)4-8(10)12/h4-5,14H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate?
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate has a molecular weight of 245.68 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate is sourced from PubChem (CID 115257255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).