N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide

C17H17BrFNO3 — CID 2711543

IUPACN-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO3/c1-22-13-5-7-14(8-6-13)23-10-2-3-17(21)20-16-9-4-12(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyWNGISSLFAZVNNB-UHFFFAOYSA-N
MW382.23 g/mol
LogP4.39
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide

N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 2711543) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
PubChem CID2711543
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO3/c1-22-13-5-7-14(8-6-13)23-10-2-3-17(21)20-16-9-4-12(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyWNGISSLFAZVNNB-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035639
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
CID 2526499
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide (CID 2711543) is N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is WNGISSLFAZVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-22-13-5-7-14(8-6-13)23-10-2-3-17(21)20-16-9-4-12(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide?
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 382.23 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 2711543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).