5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide

C15H20BrNO2 — CID 110406862

IUPAC5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide
SMILESCCC(C)NC(=O)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-3-11(2)17-15(19)6-4-5-14(18)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3,(H,17,19)
InChIKeyWUZUPZZEBDTZBL-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.72
Rot. Bonds7

About 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide

5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide (PubChem CID 110406862) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide
PubChem CID110406862
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide
SMILESCCC(C)NC(=O)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-3-11(2)17-15(19)6-4-5-14(18)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3,(H,17,19)
InChIKeyWUZUPZZEBDTZBL-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
CID 110428172
4-[(S)-(4-bromophenyl)sulfinyl]-N-[(2R)-butan-2-yl]butanamide
CID 95323144
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-methylpentanamide
CID 78773233
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-butan-2-yl-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 112511074
3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide
CID 4130263
methyl (2S)-2-[[5-[[2-(4-bromophenyl)-2-oxoethyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoate
CID 67991469
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide (CID 110406862) is 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide is CCC(C)NC(=O)CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide?
The InChIKey is WUZUPZZEBDTZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-11(2)17-15(19)6-4-5-14(18)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide?
5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide has a molecular weight of 326.23 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide is sourced from PubChem (CID 110406862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).