N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide

C18H19BrFNO2 — CID 132656992

IUPACN-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H19BrFNO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-16-6-5-13(19)10-15(16)20/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyLAMJPDSVSWMVSA-UHFFFAOYSA-N
MW380.26 g/mol
LogP5.00
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide

N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 132656992) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID132656992
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H19BrFNO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-16-6-5-13(19)10-15(16)20/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyLAMJPDSVSWMVSA-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide
CID 9179669
N-(2,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034427
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555743

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide (CID 132656992) is N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is LAMJPDSVSWMVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-4-17(23-14-8-11(2)7-12(3)9-14)18(22)21-16-6-5-13(19)10-15(16)20/h5-10,17H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide?
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 380.26 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 132656992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).