N-[4-(2-bromobutanoyl)phenyl]propanamide

C13H16BrNO2 — CID 82136336

IUPACN-[4-(2-bromobutanoyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)C(Br)CC)cc1
InChIInChI=1S/C13H16BrNO2/c1-3-11(14)13(17)9-5-7-10(8-6-9)15-12(16)4-2/h5-8,11H,3-4H2,1-2H3,(H,15,16)
InChIKeyWXODYHSKPJFLBA-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(2-bromobutanoyl)phenyl]propanamide

N-[4-(2-bromobutanoyl)phenyl]propanamide (PubChem CID 82136336) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[4-(2-bromobutanoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-bromobutanoyl)phenyl]propanamide
PubChem CID82136336
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-[4-(2-bromobutanoyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)C(Br)CC)cc1
InChIInChI=1S/C13H16BrNO2/c1-3-11(14)13(17)9-5-7-10(8-6-9)15-12(16)4-2/h5-8,11H,3-4H2,1-2H3,(H,15,16)
InChIKeyWXODYHSKPJFLBA-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
4-(4-acetamidophenyl)-3-bromo-4-oxobutanoic acid
CID 79786902
N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
2-bromo-1-(4-tert-butylphenyl)butan-1-one
CID 63386110
2-bromo-1-(4-methylsulfanylphenyl)butan-1-one
CID 54032357
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromobutanoyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-bromobutanoyl)phenyl]propanamide (CID 82136336) is N-[4-(2-bromobutanoyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-bromobutanoyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-bromobutanoyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)C(Br)CC)cc1.
What is the InChIKey of N-[4-(2-bromobutanoyl)phenyl]propanamide?
The InChIKey is WXODYHSKPJFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-3-11(14)13(17)9-5-7-10(8-6-9)15-12(16)4-2/h5-8,11H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(2-bromobutanoyl)phenyl]propanamide?
N-[4-(2-bromobutanoyl)phenyl]propanamide has a molecular weight of 298.18 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromobutanoyl)phenyl]propanamide is sourced from PubChem (CID 82136336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).