4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide

C19H21BrFNO4 — CID 42572483

IUPAC4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCOc2ccc(F)cc2)cc(OC)c1Br
InChIInChI=1S/C19H21BrFNO4/c1-24-16-11-13(12-17(25-2)18(16)20)19(23)22-9-3-4-10-26-15-7-5-14(21)6-8-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyQGXQZIMOCQPEMI-UHFFFAOYSA-N
MW426.28 g/mol
LogP4.19
Rot. Bonds9

About 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide

4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide (PubChem CID 42572483) has the molecular formula C19H21BrFNO4 and a molecular weight of 426.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
PubChem CID42572483
Molecular FormulaC19H21BrFNO4
Molecular Weight426.28 g/mol
Exact Mass425.06
IUPAC Name4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCOc2ccc(F)cc2)cc(OC)c1Br
InChIInChI=1S/C19H21BrFNO4/c1-24-16-11-13(12-17(25-2)18(16)20)19(23)22-9-3-4-10-26-15-7-5-14(21)6-8-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyQGXQZIMOCQPEMI-UHFFFAOYSA-N
XLogP4.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
N-[4-(4-fluorophenoxy)butyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55446636
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide (CID 42572483) is 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)NCCCCOc2ccc(F)cc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide?
The InChIKey is QGXQZIMOCQPEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO4/c1-24-16-11-13(12-17(25-2)18(16)20)19(23)22-9-3-4-10-26-15-7-5-14(21)6-8-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide?
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide has a molecular weight of 426.28 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 42572483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).