N-(4-bromobutoxy)acetamide

C6H12BrNO2 — CID 90951979

IUPACN-(4-bromobutoxy)acetamide
SMILESCC(=O)NOCCCCBr
InChIInChI=1S/C6H12BrNO2/c1-6(9)8-10-5-3-2-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyFTVKMYFEFNHTGA-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.23
Rot. Bonds5

About N-(4-bromobutoxy)acetamide

N-(4-bromobutoxy)acetamide (PubChem CID 90951979) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is N-(4-bromobutoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromobutoxy)acetamide
PubChem CID90951979
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC NameN-(4-bromobutoxy)acetamide
SMILESCC(=O)NOCCCCBr
InChIInChI=1S/C6H12BrNO2/c1-6(9)8-10-5-3-2-4-7/h2-5H2,1H3,(H,8,9)
InChIKeyFTVKMYFEFNHTGA-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromohexyl undecyl carbonate
CID 163210907
10-bromodecyl 2-methylprop-2-enoate
CID 15153821
bis(6-bromohexyl nonyl carbonate);carbonic acid
CID 175460185
bis(4-bromobutyl) butanedioate
CID 90257094
6-bromohexyl carbamate
CID 174934401
O-(4-bromobutyl) ethanethioate
CID 141465148
6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
10-bromodecyl 8-bromooctanoate
CID 71420607
8-bromooctyl 7-bromoheptanoate
CID 102434527
3-(11-bromoundecoxy)-3-oxopropanoic acid;butane
CID 88669054
2-(5-bromopentoxy)propanoic acid
CID 54133516
4-bromobutyl 3,3-dimethylbutanoate
CID 121289442

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutoxy)acetamide?
The IUPAC name of N-(4-bromobutoxy)acetamide (CID 90951979) is N-(4-bromobutoxy)acetamide.
What is the SMILES notation for N-(4-bromobutoxy)acetamide?
The canonical SMILES for N-(4-bromobutoxy)acetamide is CC(=O)NOCCCCBr.
What is the InChIKey of N-(4-bromobutoxy)acetamide?
The InChIKey is FTVKMYFEFNHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-6(9)8-10-5-3-2-4-7/h2-5H2,1H3,(H,8,9).
What are the key properties of N-(4-bromobutoxy)acetamide?
N-(4-bromobutoxy)acetamide has a molecular weight of 210.07 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutoxy)acetamide is sourced from PubChem (CID 90951979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).