N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide

C13H13ClF3N3O2 — CID 168653562

IUPACN-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide
SMILESO=CNc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H13ClF3N3O2/c14-9-1-2-11(10(7-9)18-8-21)19-3-5-20(6-4-19)12(22)13(15,16)17/h1-2,7-8H,3-6H2,(H,18,21)
InChIKeyGQOKGHLIPVISSD-UHFFFAOYSA-N
MW335.71 g/mol
LogP2.12
Rot. Bonds3

About N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide

N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide (PubChem CID 168653562) has the molecular formula C13H13ClF3N3O2 and a molecular weight of 335.71 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide
PubChem CID168653562
Molecular FormulaC13H13ClF3N3O2
Molecular Weight335.71 g/mol
Exact Mass335.06
IUPAC NameN-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide
SMILESO=CNc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H13ClF3N3O2/c14-9-1-2-11(10(7-9)18-8-21)19-3-5-20(6-4-19)12(22)13(15,16)17/h1-2,7-8H,3-6H2,(H,18,21)
InChIKeyGQOKGHLIPVISSD-UHFFFAOYSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide
CID 168653528
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide
CID 168653889
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
5-bromo-N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 43914598
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 143462132
2-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168542812
N-[3-chloro-4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 43913412
2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 62491643
2,4-dichloro-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 17050371
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 143462130
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide?
The IUPAC name of N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide (CID 168653562) is N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide.
What is the SMILES notation for N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide?
The canonical SMILES for N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide is O=CNc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide?
The InChIKey is GQOKGHLIPVISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O2/c14-9-1-2-11(10(7-9)18-8-21)19-3-5-20(6-4-19)12(22)13(15,16)17/h1-2,7-8H,3-6H2,(H,18,21).
What are the key properties of N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide?
N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide has a molecular weight of 335.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide is sourced from PubChem (CID 168653562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).