methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate

C12H12Cl2FNO3 — CID 21427650

IUPACmethyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate
SMILESCOC(=O)C(C)N(C(=O)CF)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2FNO3/c1-7(12(18)19-2)16(10(17)6-15)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3
InChIKeyULYDGCVHDXHIHR-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate

methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate (PubChem CID 21427650) has the molecular formula C12H12Cl2FNO3 and a molecular weight of 308.14 g/mol. Its IUPAC name is methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate
PubChem CID21427650
Molecular FormulaC12H12Cl2FNO3
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Namemethyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate
SMILESCOC(=O)C(C)N(C(=O)CF)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2FNO3/c1-7(12(18)19-2)16(10(17)6-15)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3
InChIKeyULYDGCVHDXHIHR-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
methyl 2-[N-(3-chloropropanoyl)-2,6-dimethylanilino]propanoate
CID 21434150
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
methyl 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethylanilino)propanoate
CID 12899215
methyl 2-[2,6-bis(hydroxymethyl)-N-(2-phenylacetyl)anilino]propanoate
CID 171042126
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399
methyl 2-(3-chloro-N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate
CID 20553132
methyl (2S)-2-(3-chloro-N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate
CID 88751690
methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate
CID 71156862
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
methyl 2-(3-chloro-N-[2-(2-methoxyacetyl)sulfanylacetyl]-2,6-dimethylanilino)propanoate
CID 20553162
methyl 2-(N-[(2E,4Z)-5-methoxypenta-2,4-dienoyl]-2,6-dimethylanilino)propanoate
CID 143030431

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate?
The IUPAC name of methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate (CID 21427650) is methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate.
What is the SMILES notation for methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate?
The canonical SMILES for methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate is COC(=O)C(C)N(C(=O)CF)c1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate?
The InChIKey is ULYDGCVHDXHIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO3/c1-7(12(18)19-2)16(10(17)6-15)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate?
methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate has a molecular weight of 308.14 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate is sourced from PubChem (CID 21427650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).