N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide

C13H17BrClN3O — CID 103480528

IUPACN-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Br)N1CCNCC1
InChIInChI=1S/C13H17BrClN3O/c1-9(18-7-5-16-6-8-18)13(19)17-11-4-2-3-10(15)12(11)14/h2-4,9,16H,5-8H2,1H3,(H,17,19)
InChIKeyITGSUSIIOXVOCK-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.33
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide

N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide (PubChem CID 103480528) has the molecular formula C13H17BrClN3O and a molecular weight of 346.66 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
PubChem CID103480528
Molecular FormulaC13H17BrClN3O
Molecular Weight346.66 g/mol
Exact Mass345.02
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Br)N1CCNCC1
InChIInChI=1S/C13H17BrClN3O/c1-9(18-7-5-16-6-8-18)13(19)17-11-4-2-3-10(15)12(11)14/h2-4,9,16H,5-8H2,1H3,(H,17,19)
InChIKeyITGSUSIIOXVOCK-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43130627
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
CID 107626960
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide (CID 103480528) is N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide is CC(C(=O)Nc1cccc(Cl)c1Br)N1CCNCC1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is ITGSUSIIOXVOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3O/c1-9(18-7-5-16-6-8-18)13(19)17-11-4-2-3-10(15)12(11)14/h2-4,9,16H,5-8H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide?
N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 346.66 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 103480528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).