N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide

C17H24BrNO2 — CID 82258839

IUPACN-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
SMILESCCCC(Br)C(=O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C17H24BrNO2/c1-4-7-15(18)16(20)13-8-10-14(11-9-13)19-17(21)12(5-2)6-3/h8-12,15H,4-7H2,1-3H3,(H,19,21)
InChIKeyFJXATWHQDVNKGD-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.81
Rot. Bonds8

About N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide

N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide (PubChem CID 82258839) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
PubChem CID82258839
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
SMILESCCCC(Br)C(=O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C17H24BrNO2/c1-4-7-15(18)16(20)13-8-10-14(11-9-13)19-17(21)12(5-2)6-3/h8-12,15H,4-7H2,1-3H3,(H,19,21)
InChIKeyFJXATWHQDVNKGD-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.81
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-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
CID 82254675
N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
CID 82259471
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
N-[4-(2-bromobutanoyl)phenyl]propanamide
CID 82136336
2-bromo-N-phenylpentanamide
CID 56980184
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide (CID 82258839) is N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide is CCCC(Br)C(=O)c1ccc(NC(=O)C(CC)CC)cc1.
What is the InChIKey of N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide?
The InChIKey is FJXATWHQDVNKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-4-7-15(18)16(20)13-8-10-14(11-9-13)19-17(21)12(5-2)6-3/h8-12,15H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide?
N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide has a molecular weight of 354.29 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 82258839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).