[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C18H16Cl2FNO4 — CID 7872831

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H16Cl2FNO4/c1-10-3-5-13(8-15(10)21)22-17(23)9-25-18(24)11(2)26-16-6-4-12(19)7-14(16)20/h3-8,11H,9H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyFCCUUNWEDHGZRZ-LLVKDONJSA-N
MW400.23 g/mol
LogP4.39
Rot. Bonds6

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7872831) has the molecular formula C18H16Cl2FNO4 and a molecular weight of 400.23 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7872831
Molecular FormulaC18H16Cl2FNO4
Molecular Weight400.23 g/mol
Exact Mass399.04
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H16Cl2FNO4/c1-10-3-5-13(8-15(10)21)22-17(23)9-25-18(24)11(2)26-16-6-4-12(19)7-14(16)20/h3-8,11H,9H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyFCCUUNWEDHGZRZ-LLVKDONJSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872964
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872971
[2-(3-methylsulfanylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7873004
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862601
[2-(2,4-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872967
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
[2-(3-nitroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862700

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 7872831) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is FCCUUNWEDHGZRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16Cl2FNO4/c1-10-3-5-13(8-15(10)21)22-17(23)9-25-18(24)11(2)26-16-6-4-12(19)7-14(16)20/h3-8,11H,9H2,1-2H3,(H,22,23)/t11-/m1/s1.
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 400.23 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7872831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).