N-[3-(2-bromophenyl)propyl]acetamide

C11H14BrNO — CID 58488450

IUPACN-[3-(2-bromophenyl)propyl]acetamide
SMILESCC(=O)NCCCc1ccccc1Br
InChIInChI=1S/C11H14BrNO/c1-9(14)13-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3,(H,13,14)
InChIKeyGTQYXWINRBMMEC-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.52
Rot. Bonds4

About N-[3-(2-bromophenyl)propyl]acetamide

N-[3-(2-bromophenyl)propyl]acetamide (PubChem CID 58488450) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)propyl]acetamide
PubChem CID58488450
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[3-(2-bromophenyl)propyl]acetamide
SMILESCC(=O)NCCCc1ccccc1Br
InChIInChI=1S/C11H14BrNO/c1-9(14)13-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3,(H,13,14)
InChIKeyGTQYXWINRBMMEC-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)propyl]acetamide?
The IUPAC name of N-[3-(2-bromophenyl)propyl]acetamide (CID 58488450) is N-[3-(2-bromophenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(2-bromophenyl)propyl]acetamide?
The canonical SMILES for N-[3-(2-bromophenyl)propyl]acetamide is CC(=O)NCCCc1ccccc1Br.
What is the InChIKey of N-[3-(2-bromophenyl)propyl]acetamide?
The InChIKey is GTQYXWINRBMMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-9(14)13-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-bromophenyl)propyl]acetamide?
N-[3-(2-bromophenyl)propyl]acetamide has a molecular weight of 256.14 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)propyl]acetamide is sourced from PubChem (CID 58488450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).