2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide

C16H23BrN2O2 — CID 113166813

IUPAC2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccc(Br)cc1C)C(C)=O
InChIInChI=1S/C16H23BrN2O2/c1-4-5-6-9-19(13(3)20)11-16(21)18-15-8-7-14(17)10-12(15)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKeyVTDUMEVVOLPKIQ-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.73
Rot. Bonds7

About 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide

2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 113166813) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID113166813
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccc(Br)cc1C)C(C)=O
InChIInChI=1S/C16H23BrN2O2/c1-4-5-6-9-19(13(3)20)11-16(21)18-15-8-7-14(17)10-12(15)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKeyVTDUMEVVOLPKIQ-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.73
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-(2,5-dimethylphenyl)acetamide
CID 113166745
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158975
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
CID 113166810
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018457
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
3-[acetyl(2-methoxyethyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113117035
3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113115678
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
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-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide (CID 113166813) is 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide is CCCCCN(CC(=O)Nc1ccc(Br)cc1C)C(C)=O.
What is the InChIKey of 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is VTDUMEVVOLPKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-4-5-6-9-19(13(3)20)11-16(21)18-15-8-7-14(17)10-12(15)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 355.28 g/mol, XLogP of 3.73, 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-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 113166813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).