(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide

C17H17BrFNO2 — CID 9179669

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H17BrFNO2/c1-3-16(22-13-7-4-11(2)5-8-13)17(21)20-15-9-6-12(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyXPBYKYWMZYYLEK-MRXNPFEDSA-N
MW366.23 g/mol
LogP4.69
Rot. Bonds5

About (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide

(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide (PubChem CID 9179669) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide
PubChem CID9179669
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H17BrFNO2/c1-3-16(22-13-7-4-11(2)5-8-13)17(21)20-15-9-6-12(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyXPBYKYWMZYYLEK-MRXNPFEDSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132656992
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555743
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide (CID 9179669) is (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide is CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is XPBYKYWMZYYLEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-3-16(22-13-7-4-11(2)5-8-13)17(21)20-15-9-6-12(18)10-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide?
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 366.23 g/mol, XLogP of 4.69, 5 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-(4-methylphenoxy)butanamide is sourced from PubChem (CID 9179669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).