N-bromobutanamide

C4H8BrNO — CID 11321160

IUPACN-bromobutanamide
SMILESCCCC(=O)NBr
InChIInChI=1S/C4H8BrNO/c1-2-3-4(7)6-5/h2-3H2,1H3,(H,6,7)
InChIKeyIVOLAUJTLCAWRZ-UHFFFAOYSA-N
MW166.02 g/mol
LogP1.21
Rot. Bonds2

About N-bromobutanamide

N-bromobutanamide (PubChem CID 11321160) has the molecular formula C4H8BrNO and a molecular weight of 166.02 g/mol. Its IUPAC name is N-bromobutanamide.

Molecular Properties

Compound NameN-bromobutanamide
PubChem CID11321160
Molecular FormulaC4H8BrNO
Molecular Weight166.02 g/mol
Exact Mass164.98
IUPAC NameN-bromobutanamide
SMILESCCCC(=O)NBr
InChIInChI=1S/C4H8BrNO/c1-2-3-4(7)6-5/h2-3H2,1H3,(H,6,7)
InChIKeyIVOLAUJTLCAWRZ-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromobutanamide?
The IUPAC name of N-bromobutanamide (CID 11321160) is N-bromobutanamide.
What is the SMILES notation for N-bromobutanamide?
The canonical SMILES for N-bromobutanamide is CCCC(=O)NBr.
What is the InChIKey of N-bromobutanamide?
The InChIKey is IVOLAUJTLCAWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO/c1-2-3-4(7)6-5/h2-3H2,1H3,(H,6,7).
What are the key properties of N-bromobutanamide?
N-bromobutanamide has a molecular weight of 166.02 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromobutanamide is sourced from PubChem (CID 11321160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).