methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate

C15H13BrFNO2 — CID 60992716

IUPACmethyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H13BrFNO2/c1-20-15(19)14(12-7-2-3-8-13(12)17)18-11-6-4-5-10(16)9-11/h2-9,14,18H,1H3
InChIKeyHEPAYIJROWCJED-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.91
Rot. Bonds4

About methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate

methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate (PubChem CID 60992716) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
PubChem CID60992716
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Namemethyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H13BrFNO2/c1-20-15(19)14(12-7-2-3-8-13(12)17)18-11-6-4-5-10(16)9-11/h2-9,14,18H,1H3
InChIKeyHEPAYIJROWCJED-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
CID 60993931
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
CID 61347397
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate?
The IUPAC name of methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate (CID 60992716) is methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate is COC(=O)C(Nc1cccc(Br)c1)c1ccccc1F.
What is the InChIKey of methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate?
The InChIKey is HEPAYIJROWCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-15(19)14(12-7-2-3-8-13(12)17)18-11-6-4-5-10(16)9-11/h2-9,14,18H,1H3.
What are the key properties of methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate?
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate has a molecular weight of 338.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 60992716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).