2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid

C15H13BrFNO2 — CID 60994863

IUPAC2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-15(14(19)20,10-5-4-6-11(16)9-10)18-13-8-3-2-7-12(13)17/h2-9,18H,1H3,(H,19,20)
InChIKeyINEKNKZOLWANEC-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.00
Rot. Bonds4

About 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid

2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid (PubChem CID 60994863) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
PubChem CID60994863
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-15(14(19)20,10-5-4-6-11(16)9-10)18-13-8-3-2-7-12(13)17/h2-9,18H,1H3,(H,19,20)
InChIKeyINEKNKZOLWANEC-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Fluorophenyl)-2-(phenylamino)acetic acid
CID 54890026
{4-[(4-Bromobenzyl)amino]phenyl}acetic acid
CID 4570957
2-((4-Fluorophenyl)amino)-2-phenylacetic acid
CID 2759076
(2R)-2-Anilino-2-phenylpropanoic acid
CID 28065276
ethyl (R,E)-2-((4-bromo-2,3,5,6-tetrafluorophenyl)amino)-2,4-diphenylbut-3-enoate
CID 176526263
ethyl (R,E)-2-((4-bromo-2,6-difluorophenyl)amino)-2,4-diphenylbut-3-enoate
CID 176526267
ethyl (R,E)-2-((2-bromo-3,4,6-trifluorophenyl)amino)-2,4-diphenylbut-3-enoate
CID 176526270
ethyl (R,E)-2-((2-bromo-4,6-difluorophenyl)amino)-2,4-diphenylbut-3-enoate
CID 176526271
2-Phenylchinolincarbonsaure
CID 68836441
(2-Fluoro-phenylamino)-phenyl-acetic acid
CID 2759075
(2-Fluoro-phenylamino)-p-tolyl-acetic acid
CID 2759081
(R)-(4-fluoro-phenylamino)-phenyl-acetic acid
CID 7006576

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid?
The IUPAC name of 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid (CID 60994863) is 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid is CC(Nc1ccccc1F)(C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid?
The InChIKey is INEKNKZOLWANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-15(14(19)20,10-5-4-6-11(16)9-10)18-13-8-3-2-7-12(13)17/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid?
2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid has a molecular weight of 338.18 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid is sourced from PubChem (CID 60994863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).