(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide

C15H11BrF3NO2 — CID 8578082

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrF3NO2/c1-8(22-10-3-4-11(17)12(18)7-10)15(21)20-14-5-2-9(16)6-13(14)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYKSMTMXUZUYBLN-MRVPVSSYSA-N
MW374.16 g/mol
LogP4.27
Rot. Bonds4

About (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide

(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide (PubChem CID 8578082) has the molecular formula C15H11BrF3NO2 and a molecular weight of 374.16 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
PubChem CID8578082
Molecular FormulaC15H11BrF3NO2
Molecular Weight374.16 g/mol
Exact Mass372.99
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrF3NO2/c1-8(22-10-3-4-11(17)12(18)7-10)15(21)20-14-5-2-9(16)6-13(14)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYKSMTMXUZUYBLN-MRVPVSSYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide (CID 8578082) is (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is YKSMTMXUZUYBLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11BrF3NO2/c1-8(22-10-3-4-11(17)12(18)7-10)15(21)20-14-5-2-9(16)6-13(14)19/h2-8H,1H3,(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide has a molecular weight of 374.16 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 8578082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).