methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate

C15H12Cl2FNO2 — CID 60993465

IUPACmethyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2FNO2/c1-21-15(20)14(9-6-7-10(16)11(17)8-9)19-13-5-3-2-4-12(13)18/h2-8,14,19H,1H3
InChIKeyLOJUCQWPQWFJTH-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.46
Rot. Bonds4

About methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate

methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate (PubChem CID 60993465) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
PubChem CID60993465
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Namemethyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2FNO2/c1-21-15(20)14(9-6-7-10(16)11(17)8-9)19-13-5-3-2-4-12(13)18/h2-8,14,19H,1H3
InChIKeyLOJUCQWPQWFJTH-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 61001245
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate
CID 59200619
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate (CID 60993465) is methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate is COC(=O)C(Nc1ccccc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate?
The InChIKey is LOJUCQWPQWFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c1-21-15(20)14(9-6-7-10(16)11(17)8-9)19-13-5-3-2-4-12(13)18/h2-8,14,19H,1H3.
What are the key properties of methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate?
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate has a molecular weight of 328.17 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate is sourced from PubChem (CID 60993465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).