N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide

C14H18BrF2N3O — CID 80547613

IUPACN-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1c(F)cc(F)cc1Br)N1CCNCC1
InChIInChI=1S/C14H18BrF2N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(15)7-9(16)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21)
InChIKeyXKARFKKGPDQDFJ-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.35
Rot. Bonds3

About N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547613) has the molecular formula C14H18BrF2N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547613
Molecular FormulaC14H18BrF2N3O
Molecular Weight362.22 g/mol
Exact Mass361.06
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1c(F)cc(F)cc1Br)N1CCNCC1
InChIInChI=1S/C14H18BrF2N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(15)7-9(16)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21)
InChIKeyXKARFKKGPDQDFJ-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548312
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80547613) is N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)Nc1c(F)cc(F)cc1Br)N1CCNCC1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is XKARFKKGPDQDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(15)7-9(16)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 362.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).