N-[2-(bromomethyl)phenyl]-2-methylpentanamide

C13H18BrNO — CID 114309617

IUPACN-[2-(bromomethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccccc1CBr
InChIInChI=1S/C13H18BrNO/c1-3-6-10(2)13(16)15-12-8-5-4-7-11(12)9-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyUFKSXAIBJMIURA-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(bromomethyl)phenyl]-2-methylpentanamide

N-[2-(bromomethyl)phenyl]-2-methylpentanamide (PubChem CID 114309617) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2-methylpentanamide
PubChem CID114309617
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[2-(bromomethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccccc1CBr
InChIInChI=1S/C13H18BrNO/c1-3-6-10(2)13(16)15-12-8-5-4-7-11(12)9-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyUFKSXAIBJMIURA-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
(2S)-2-[2-[[(2R)-2-methylpentanoyl]amino]phenyl]sulfanylpentanoic acid
CID 40803024
2-methyl-N-phenylpentanamide
CID 4627801
N-[3-(chloromethyl)-2-propan-2-ylphenyl]-2-methylpentanamide
CID 166682257
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848
2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
CID 145301139
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2-methylpentanamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2-methylpentanamide (CID 114309617) is N-[2-(bromomethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccccc1CBr.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2-methylpentanamide?
The InChIKey is UFKSXAIBJMIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-6-10(2)13(16)15-12-8-5-4-7-11(12)9-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(bromomethyl)phenyl]-2-methylpentanamide?
N-[2-(bromomethyl)phenyl]-2-methylpentanamide has a molecular weight of 284.20 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 114309617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).