N-bromo-3-chloropropanamide

C3H5BrClNO — CID 130655792

IUPACN-bromo-3-chloropropanamide
SMILESO=C(CCCl)NBr
InChIInChI=1S/C3H5BrClNO/c4-6-3(7)1-2-5/h1-2H2,(H,6,7)
InChIKeyPGOZDAFZFPGMNJ-UHFFFAOYSA-N
MW186.44 g/mol
LogP1.04
Rot. Bonds2

About N-bromo-3-chloropropanamide

N-bromo-3-chloropropanamide (PubChem CID 130655792) has the molecular formula C3H5BrClNO and a molecular weight of 186.44 g/mol. Its IUPAC name is N-bromo-3-chloropropanamide.

Molecular Properties

Compound NameN-bromo-3-chloropropanamide
PubChem CID130655792
Molecular FormulaC3H5BrClNO
Molecular Weight186.44 g/mol
Exact Mass184.92
IUPAC NameN-bromo-3-chloropropanamide
SMILESO=C(CCCl)NBr
InChIInChI=1S/C3H5BrClNO/c4-6-3(7)1-2-5/h1-2H2,(H,6,7)
InChIKeyPGOZDAFZFPGMNJ-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromo-3-chloropropanamide?
The IUPAC name of N-bromo-3-chloropropanamide (CID 130655792) is N-bromo-3-chloropropanamide.
What is the SMILES notation for N-bromo-3-chloropropanamide?
The canonical SMILES for N-bromo-3-chloropropanamide is O=C(CCCl)NBr.
What is the InChIKey of N-bromo-3-chloropropanamide?
The InChIKey is PGOZDAFZFPGMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrClNO/c4-6-3(7)1-2-5/h1-2H2,(H,6,7).
What are the key properties of N-bromo-3-chloropropanamide?
N-bromo-3-chloropropanamide has a molecular weight of 186.44 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-3-chloropropanamide is sourced from PubChem (CID 130655792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).