2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide

C15H21BrN2O2 — CID 113166810

IUPAC2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccccc1Br)C(C)=O
InChIInChI=1S/C15H21BrN2O2/c1-3-4-7-10-18(12(2)19)11-15(20)17-14-9-6-5-8-13(14)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20)
InChIKeyUCSCFYUMJPPGLX-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.43
Rot. Bonds7

About 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide

2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide (PubChem CID 113166810) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
PubChem CID113166810
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccccc1Br)C(C)=O
InChIInChI=1S/C15H21BrN2O2/c1-3-4-7-10-18(12(2)19)11-15(20)17-14-9-6-5-8-13(14)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20)
InChIKeyUCSCFYUMJPPGLX-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
CID 113158758
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
CID 108952078
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide (CID 113166810) is 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide is CCCCCN(CC(=O)Nc1ccccc1Br)C(C)=O.
What is the InChIKey of 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide?
The InChIKey is UCSCFYUMJPPGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-4-7-10-18(12(2)19)11-15(20)17-14-9-6-5-8-13(14)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide?
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 113166810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).