N-(2-bromododecyl)acetamide

C14H28BrNO — CID 87944717

IUPACN-(2-bromododecyl)acetamide
SMILESCCCCCCCCCCC(Br)CNC(C)=O
InChIInChI=1S/C14H28BrNO/c1-3-4-5-6-7-8-9-10-11-14(15)12-16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17)
InChIKeyDLLIBIFBGPUYQV-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.42
Rot. Bonds11

About N-(2-bromododecyl)acetamide

N-(2-bromododecyl)acetamide (PubChem CID 87944717) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2-bromododecyl)acetamide.

Molecular Properties

Compound NameN-(2-bromododecyl)acetamide
PubChem CID87944717
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(2-bromododecyl)acetamide
SMILESCCCCCCCCCCC(Br)CNC(C)=O
InChIInChI=1S/C14H28BrNO/c1-3-4-5-6-7-8-9-10-11-14(15)12-16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17)
InChIKeyDLLIBIFBGPUYQV-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-(2-bromoheptyl)acetamide
CID 174351305
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
4-bromononan-2-one
CID 86211202
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2-(1-acetamidobutan-2-yl)hexadecanamide
CID 87166621
N-(4-bromododecyl)butanamide
CID 174708540
(2R)-2-bromoundecanoic acid
CID 98062248
2-bromopentatriacontanoic acid
CID 141388302
4-bromohexadecanoic acid
CID 164519411
12-bromooctadecanoic acid
CID 5312947
methyl 9-bromooctadecanoate
CID 11731588

Frequently Asked Questions

What is the IUPAC name of N-(2-bromododecyl)acetamide?
The IUPAC name of N-(2-bromododecyl)acetamide (CID 87944717) is N-(2-bromododecyl)acetamide.
What is the SMILES notation for N-(2-bromododecyl)acetamide?
The canonical SMILES for N-(2-bromododecyl)acetamide is CCCCCCCCCCC(Br)CNC(C)=O.
What is the InChIKey of N-(2-bromododecyl)acetamide?
The InChIKey is DLLIBIFBGPUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-3-4-5-6-7-8-9-10-11-14(15)12-16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromododecyl)acetamide?
N-(2-bromododecyl)acetamide has a molecular weight of 306.29 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromododecyl)acetamide is sourced from PubChem (CID 87944717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).