N-(2-bromoheptyl)acetamide

C9H18BrNO — CID 174351305

IUPACN-(2-bromoheptyl)acetamide
SMILESCCCCCC(Br)CNC(C)=O
InChIInChI=1S/C9H18BrNO/c1-3-4-5-6-9(10)7-11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyVEUZVALIZCILKD-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.47
Rot. Bonds6

About N-(2-bromoheptyl)acetamide

N-(2-bromoheptyl)acetamide (PubChem CID 174351305) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(2-bromoheptyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoheptyl)acetamide
PubChem CID174351305
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(2-bromoheptyl)acetamide
SMILESCCCCCC(Br)CNC(C)=O
InChIInChI=1S/C9H18BrNO/c1-3-4-5-6-9(10)7-11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyVEUZVALIZCILKD-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.47
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-bromododecyl)acetamide
CID 87944717
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
4-bromononan-2-one
CID 86211202
fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
2-(1-acetamidobutan-2-yl)hexadecanamide
CID 87166621
N-(4-bromododecyl)butanamide
CID 174708540
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
2-bromopentatriacontanoic acid
CID 141388302
(2R)-2-bromoundecanoic acid
CID 98062248
methyl 9-bromooctadecanoate
CID 11731588

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoheptyl)acetamide?
The IUPAC name of N-(2-bromoheptyl)acetamide (CID 174351305) is N-(2-bromoheptyl)acetamide.
What is the SMILES notation for N-(2-bromoheptyl)acetamide?
The canonical SMILES for N-(2-bromoheptyl)acetamide is CCCCCC(Br)CNC(C)=O.
What is the InChIKey of N-(2-bromoheptyl)acetamide?
The InChIKey is VEUZVALIZCILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-3-4-5-6-9(10)7-11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-bromoheptyl)acetamide?
N-(2-bromoheptyl)acetamide has a molecular weight of 236.15 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoheptyl)acetamide is sourced from PubChem (CID 174351305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).