N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide

C13H15BrF3N3O — CID 60792385

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H15BrF3N3O/c14-9-1-2-11(10(7-9)13(15,16)17)19-12(21)8-20-5-3-18-4-6-20/h1-2,7,18H,3-6,8H2,(H,19,21)
InChIKeyYTFVDRXTEBGLFT-UHFFFAOYSA-N
MW366.18 g/mol
LogP2.31
Rot. Bonds3

About N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide (PubChem CID 60792385) has the molecular formula C13H15BrF3N3O and a molecular weight of 366.18 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
PubChem CID60792385
Molecular FormulaC13H15BrF3N3O
Molecular Weight366.18 g/mol
Exact Mass365.04
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H15BrF3N3O/c14-9-1-2-11(10(7-9)13(15,16)17)19-12(21)8-20-5-3-18-4-6-20/h1-2,7,18H,3-6,8H2,(H,19,21)
InChIKeyYTFVDRXTEBGLFT-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791
N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
CID 107790162
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766
N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 60790640
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
4-fluoro-2-[(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61157931
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide (CID 60792385) is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide?
The InChIKey is YTFVDRXTEBGLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N3O/c14-9-1-2-11(10(7-9)13(15,16)17)19-12(21)8-20-5-3-18-4-6-20/h1-2,7,18H,3-6,8H2,(H,19,21).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide has a molecular weight of 366.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60792385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).