N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide

C20H17ClF3N5O — CID 53052187

IUPACN-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1
InChIInChI=1S/C20H17ClF3N5O/c21-13-5-7-14(8-6-13)25-19(30)29-11-9-28(10-12-29)18-17(20(22,23)24)26-15-3-1-2-4-16(15)27-18/h1-8H,9-12H2,(H,25,30)
InChIKeyJUBYSLAHZQUUMR-UHFFFAOYSA-N
MW435.84 g/mol
LogP4.66
Rot. Bonds2

About N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide (PubChem CID 53052187) has the molecular formula C20H17ClF3N5O and a molecular weight of 435.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
PubChem CID53052187
Molecular FormulaC20H17ClF3N5O
Molecular Weight435.84 g/mol
Exact Mass435.11
IUPAC NameN-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1
InChIInChI=1S/C20H17ClF3N5O/c21-13-5-7-14(8-6-13)25-19(30)29-11-9-28(10-12-29)18-17(20(22,23)24)26-15-3-1-2-4-16(15)27-18/h1-8H,9-12H2,(H,25,30)
InChIKeyJUBYSLAHZQUUMR-UHFFFAOYSA-N
XLogP4.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carbonyl]amino]benzoate
CID 53052228
N-(4-bromo-2-fluorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
CID 53052206
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 22331907
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
2-piperidin-1-yl-3-(trifluoromethyl)quinoxaline
CID 4992006
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 50805266
4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 24720206
4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 56942033
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 4587122
(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063737

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide (CID 53052187) is N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide?
The InChIKey is JUBYSLAHZQUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O/c21-13-5-7-14(8-6-13)25-19(30)29-11-9-28(10-12-29)18-17(20(22,23)24)26-15-3-1-2-4-16(15)27-18/h1-8H,9-12H2,(H,25,30).
What are the key properties of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide has a molecular weight of 435.84 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53052187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).