4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide

C17H17BrFNO2 — CID 2526499

IUPAC4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
SMILESCc1cc(F)ccc1NC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c1-12-11-14(19)6-9-16(12)20-17(21)3-2-10-22-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyOEHHGCGJCVQZQF-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.69
Rot. Bonds6

About 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide

4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide (PubChem CID 2526499) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
PubChem CID2526499
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
SMILESCc1cc(F)ccc1NC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c1-12-11-14(19)6-9-16(12)20-17(21)3-2-10-22-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyOEHHGCGJCVQZQF-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide (CID 2526499) is 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide is Cc1cc(F)ccc1NC(=O)CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide?
The InChIKey is OEHHGCGJCVQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-12-11-14(19)6-9-16(12)20-17(21)3-2-10-22-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21).
What are the key properties of 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide?
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide has a molecular weight of 366.23 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide is sourced from PubChem (CID 2526499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).