3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide

C7H15BrF2N2O — CID 20508332

IUPAC3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide
SMILESBr.CCCNC(=O)CC(N)C(F)F
InChIInChI=1S/C7H14F2N2O.BrH/c1-2-3-11-6(12)4-5(10)7(8)9;/h5,7H,2-4,10H2,1H3,(H,11,12);1H
InChIKeyZLMYYRZIVIJXAI-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.07
Rot. Bonds5

About 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide

3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide (PubChem CID 20508332) has the molecular formula C7H15BrF2N2O and a molecular weight of 261.11 g/mol. Its IUPAC name is 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide.

Molecular Properties

Compound Name3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide
PubChem CID20508332
Molecular FormulaC7H15BrF2N2O
Molecular Weight261.11 g/mol
Exact Mass260.03
IUPAC Name3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide
SMILESBr.CCCNC(=O)CC(N)C(F)F
InChIInChI=1S/C7H14F2N2O.BrH/c1-2-3-11-6(12)4-5(10)7(8)9;/h5,7H,2-4,10H2,1H3,(H,11,12);1H
InChIKeyZLMYYRZIVIJXAI-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide?
The IUPAC name of 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide (CID 20508332) is 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide.
What is the SMILES notation for 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide?
The canonical SMILES for 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide is Br.CCCNC(=O)CC(N)C(F)F.
What is the InChIKey of 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide?
The InChIKey is ZLMYYRZIVIJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O.BrH/c1-2-3-11-6(12)4-5(10)7(8)9;/h5,7H,2-4,10H2,1H3,(H,11,12);1H.
What are the key properties of 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide?
3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide has a molecular weight of 261.11 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-difluoro-N-propylbutanamide;hydrobromide is sourced from PubChem (CID 20508332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).