N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide

C15H22BrNO — CID 113276046

IUPACN-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C)CCCBr)c1
InChIInChI=1S/C15H22BrNO/c1-12-5-3-7-14(11-12)8-9-15(18)17-13(2)6-4-10-16/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyAJVHAJDAUMAATQ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.61
Rot. Bonds7

About N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide

N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 113276046) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID113276046
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C)CCCBr)c1
InChIInChI=1S/C15H22BrNO/c1-12-5-3-7-14(11-12)8-9-15(18)17-13(2)6-4-10-16/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyAJVHAJDAUMAATQ-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide (CID 113276046) is N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC(C)CCCBr)c1.
What is the InChIKey of N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is AJVHAJDAUMAATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-5-3-7-14(11-12)8-9-15(18)17-13(2)6-4-10-16/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide?
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 312.25 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 113276046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).