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

C16H15BrFNO2 — CID 60992984

IUPACmethyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-16(15(20)21-2,11-6-5-7-12(18)10-11)19-14-9-4-3-8-13(14)17/h3-10,19H,1-2H3
InChIKeyJGLOSGKDZYDGCM-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.09
Rot. Bonds4

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

methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate (PubChem CID 60992984) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
PubChem CID60992984
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Namemethyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-16(15(20)21-2,11-6-5-7-12(18)10-11)19-14-9-4-3-8-13(14)17/h3-10,19H,1-2H3
InChIKeyJGLOSGKDZYDGCM-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromoanilino)-2-(4-fluorophenyl)propanoate
CID 60994120
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
CID 171477875
methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
CID 60992627
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate?
The IUPAC name of methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate (CID 60992984) is methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate is COC(=O)C(C)(Nc1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate?
The InChIKey is JGLOSGKDZYDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-16(15(20)21-2,11-6-5-7-12(18)10-11)19-14-9-4-3-8-13(14)17/h3-10,19H,1-2H3.
What are the key properties of methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate?
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate has a molecular weight of 352.20 g/mol, XLogP of 4.09, 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-(3-fluorophenyl)propanoate is sourced from PubChem (CID 60992984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).