5-bromo-N-[4-(diethylamino)phenyl]pentanamide

C15H23BrN2O — CID 107907428

IUPAC5-bromo-N-[4-(diethylamino)phenyl]pentanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCCBr)cc1
InChIInChI=1S/C15H23BrN2O/c1-3-18(4-2)14-10-8-13(9-11-14)17-15(19)7-5-6-12-16/h8-11H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyHULYNZSIJMTFOF-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.04
Rot. Bonds8

About 5-bromo-N-[4-(diethylamino)phenyl]pentanamide

5-bromo-N-[4-(diethylamino)phenyl]pentanamide (PubChem CID 107907428) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-N-[4-(diethylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(diethylamino)phenyl]pentanamide
PubChem CID107907428
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name5-bromo-N-[4-(diethylamino)phenyl]pentanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCCBr)cc1
InChIInChI=1S/C15H23BrN2O/c1-3-18(4-2)14-10-8-13(9-11-14)17-15(19)7-5-6-12-16/h8-11H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyHULYNZSIJMTFOF-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
7-bromo-N-phenylheptanamide
CID 11266084
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(diethylamino)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(diethylamino)phenyl]pentanamide (CID 107907428) is 5-bromo-N-[4-(diethylamino)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(diethylamino)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(diethylamino)phenyl]pentanamide is CCN(CC)c1ccc(NC(=O)CCCCBr)cc1.
What is the InChIKey of 5-bromo-N-[4-(diethylamino)phenyl]pentanamide?
The InChIKey is HULYNZSIJMTFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-18(4-2)14-10-8-13(9-11-14)17-15(19)7-5-6-12-16/h8-11H,3-7,12H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[4-(diethylamino)phenyl]pentanamide?
5-bromo-N-[4-(diethylamino)phenyl]pentanamide has a molecular weight of 327.27 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(diethylamino)phenyl]pentanamide is sourced from PubChem (CID 107907428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).