N,N-dipropylcarbamoyl bromide

C7H14BrNO — CID 18947660

IUPACN,N-dipropylcarbamoyl bromide
SMILESCCCN(CCC)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3
InChIKeyBQRXFLIENUCYIR-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.62
Rot. Bonds4

About N,N-dipropylcarbamoyl bromide

N,N-dipropylcarbamoyl bromide (PubChem CID 18947660) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N,N-dipropylcarbamoyl bromide.

Molecular Properties

Compound NameN,N-dipropylcarbamoyl bromide
PubChem CID18947660
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN,N-dipropylcarbamoyl bromide
SMILESCCCN(CCC)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3
InChIKeyBQRXFLIENUCYIR-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropylcarbamoyl bromide?
The IUPAC name of N,N-dipropylcarbamoyl bromide (CID 18947660) is N,N-dipropylcarbamoyl bromide.
What is the SMILES notation for N,N-dipropylcarbamoyl bromide?
The canonical SMILES for N,N-dipropylcarbamoyl bromide is CCCN(CCC)C(=O)Br.
What is the InChIKey of N,N-dipropylcarbamoyl bromide?
The InChIKey is BQRXFLIENUCYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3.
What are the key properties of N,N-dipropylcarbamoyl bromide?
N,N-dipropylcarbamoyl bromide has a molecular weight of 208.10 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylcarbamoyl bromide is sourced from PubChem (CID 18947660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).