methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate

C15H12BrClFNO2 — CID 60994408

IUPACmethyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1Br)c1c(F)cccc1Cl
InChIInChI=1S/C15H12BrClFNO2/c1-21-15(20)14(13-10(17)6-4-7-11(13)18)19-12-8-3-2-5-9(12)16/h2-8,14,19H,1H3
InChIKeyXMKLLQFKWWBUEC-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.57
Rot. Bonds4

About methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate

methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 60994408) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
PubChem CID60994408
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Namemethyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1Br)c1c(F)cccc1Cl
InChIInChI=1S/C15H12BrClFNO2/c1-21-15(20)14(13-10(17)6-4-7-11(13)18)19-12-8-3-2-5-9(12)16/h2-8,14,19H,1H3
InChIKeyXMKLLQFKWWBUEC-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
CID 62134309
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
methyl 2-(2,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 61001245
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(2-bromoanilino)-2-(2-chlorophenyl)acetamide
CID 54892077
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
methyl 2-(2-chloroanilino)-2-(4,5-dibromothiophen-2-yl)acetate
CID 102840709
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate (CID 60994408) is methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate is COC(=O)C(Nc1ccccc1Br)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is XMKLLQFKWWBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-21-15(20)14(13-10(17)6-4-7-11(13)18)19-12-8-3-2-5-9(12)16/h2-8,14,19H,1H3.
What are the key properties of methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate?
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 372.62 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 60994408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).