5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide

C15H21BrN2O — CID 114014794

IUPAC5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESO=C(CCCCBr)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H21BrN2O/c16-9-2-1-8-15(19)17-13-6-5-7-14(12-13)18-10-3-4-11-18/h5-7,12H,1-4,8-11H2,(H,17,19)
InChIKeyZJOQXUDWQUMBJY-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.79
Rot. Bonds6

About 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide

5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 114014794) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID114014794
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESO=C(CCCCBr)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H21BrN2O/c16-9-2-1-8-15(19)17-13-6-5-7-14(12-13)18-10-3-4-11-18/h5-7,12H,1-4,8-11H2,(H,17,19)
InChIKeyZJOQXUDWQUMBJY-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
CID 126839368
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide (CID 114014794) is 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide is O=C(CCCCBr)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is ZJOQXUDWQUMBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-9-2-1-8-15(19)17-13-6-5-7-14(12-13)18-10-3-4-11-18/h5-7,12H,1-4,8-11H2,(H,17,19).
What are the key properties of 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 325.25 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 114014794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).