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

C16H22BrNO2 — CID 82258769

IUPACN-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
SMILESCCC(Br)C(=O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C16H22BrNO2/c1-4-11(5-2)16(20)18-13-9-7-12(8-10-13)15(19)14(17)6-3/h7-11,14H,4-6H2,1-3H3,(H,18,20)
InChIKeyMSRTZGIEDIMTBQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.42
Rot. Bonds7

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

N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide (PubChem CID 82258769) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
PubChem CID82258769
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
SMILESCCC(Br)C(=O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C16H22BrNO2/c1-4-11(5-2)16(20)18-13-9-7-12(8-10-13)15(19)14(17)6-3/h7-11,14H,4-6H2,1-3H3,(H,18,20)
InChIKeyMSRTZGIEDIMTBQ-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.42
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-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
N-[4-(2-bromobutanoyl)phenyl]propanamide
CID 82136336
N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
CID 82259471
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide (CID 82258769) is N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide is CCC(Br)C(=O)c1ccc(NC(=O)C(CC)CC)cc1.
What is the InChIKey of N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide?
The InChIKey is MSRTZGIEDIMTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-4-11(5-2)16(20)18-13-9-7-12(8-10-13)15(19)14(17)6-3/h7-11,14H,4-6H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide?
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide has a molecular weight of 340.26 g/mol, XLogP of 4.42, 7 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]-2-ethylbutanamide is sourced from PubChem (CID 82258769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).