N-(2-bromoethyl)pentanamide

C7H14BrNO — CID 43133425

IUPACN-(2-bromoethyl)pentanamide
SMILESCCCCC(=O)NCCBr
InChIInChI=1S/C7H14BrNO/c1-2-3-4-7(10)9-6-5-8/h2-6H2,1H3,(H,9,10)
InChIKeyRNIZYPRJPTXZAQ-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.69
Rot. Bonds5

About N-(2-bromoethyl)pentanamide

N-(2-bromoethyl)pentanamide (PubChem CID 43133425) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-(2-bromoethyl)pentanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)pentanamide
PubChem CID43133425
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-(2-bromoethyl)pentanamide
SMILESCCCCC(=O)NCCBr
InChIInChI=1S/C7H14BrNO/c1-2-3-4-7(10)9-6-5-8/h2-6H2,1H3,(H,9,10)
InChIKeyRNIZYPRJPTXZAQ-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.69
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-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-tetradecylpentanamide
CID 87172595
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-propylheptanamide
CID 145289188
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
3-bromo-N-propylpropanamide
CID 12680973
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)pentanamide?
The IUPAC name of N-(2-bromoethyl)pentanamide (CID 43133425) is N-(2-bromoethyl)pentanamide.
What is the SMILES notation for N-(2-bromoethyl)pentanamide?
The canonical SMILES for N-(2-bromoethyl)pentanamide is CCCCC(=O)NCCBr.
What is the InChIKey of N-(2-bromoethyl)pentanamide?
The InChIKey is RNIZYPRJPTXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-2-3-4-7(10)9-6-5-8/h2-6H2,1H3,(H,9,10).
What are the key properties of N-(2-bromoethyl)pentanamide?
N-(2-bromoethyl)pentanamide has a molecular weight of 208.10 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)pentanamide is sourced from PubChem (CID 43133425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).