N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide

C15H22BrN3O — CID 119876236

IUPACN-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrN3O/c1-17-9-2-3-15(20)18-13-8-10-19(11-13)14-6-4-12(16)5-7-14/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyUDSILTMHVAOVSC-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.14
Rot. Bonds6

About N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide

N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide (PubChem CID 119876236) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
PubChem CID119876236
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrN3O/c1-17-9-2-3-15(20)18-13-8-10-19(11-13)14-6-4-12(16)5-7-14/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyUDSILTMHVAOVSC-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
CID 119876264
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
3-[[N-[1-(4-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-cyclopentylpropanamide;hydroiodide
CID 111917710
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120596472
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide (CID 119876236) is N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide is CNCCCC(=O)NC1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide?
The InChIKey is UDSILTMHVAOVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-17-9-2-3-15(20)18-13-8-10-19(11-13)14-6-4-12(16)5-7-14/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide?
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide has a molecular weight of 340.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119876236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).