5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide

C15H21BrN2O2 — CID 107908652

IUPAC5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CCCCBr)c1
InChIInChI=1S/C15H21BrN2O2/c1-3-14(19)17-12-8-7-11(2)13(10-12)18-15(20)6-4-5-9-16/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyINYOPFFKQFCBIH-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.85
Rot. Bonds7

About 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide

5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide (PubChem CID 107908652) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
PubChem CID107908652
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CCCCBr)c1
InChIInChI=1S/C15H21BrN2O2/c1-3-14(19)17-12-8-7-11(2)13(10-12)18-15(20)6-4-5-9-16/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyINYOPFFKQFCBIH-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
CID 54817965
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54829023
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide (CID 107908652) is 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide is CCC(=O)Nc1ccc(C)c(NC(=O)CCCCBr)c1.
What is the InChIKey of 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
The InChIKey is INYOPFFKQFCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-14(19)17-12-8-7-11(2)13(10-12)18-15(20)6-4-5-9-16/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide has a molecular weight of 341.25 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide is sourced from PubChem (CID 107908652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).