2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride

C17H21ClF5N3O — CID 120811046

IUPAC2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H20F5N3O.ClH/c18-10-1-2-14(19)12(7-10)11-8-13(11)16(26)24-9-15(17(20,21)22)25-5-3-23-4-6-25;/h1-2,7,11,13,15,23H,3-6,8-9H2,(H,24,26);1H
InChIKeyGDHNNIQNEXGWMK-UHFFFAOYSA-N
MW413.82 g/mol
LogP2.44
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride

2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120811046) has the molecular formula C17H21ClF5N3O and a molecular weight of 413.82 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120811046
Molecular FormulaC17H21ClF5N3O
Molecular Weight413.82 g/mol
Exact Mass413.13
IUPAC Name2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H20F5N3O.ClH/c18-10-1-2-14(19)12(7-10)11-8-13(11)16(26)24-9-15(17(20,21)22)25-5-3-23-4-6-25;/h1-2,7,11,13,15,23H,3-6,8-9H2,(H,24,26);1H
InChIKeyGDHNNIQNEXGWMK-UHFFFAOYSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
4-(2,4-difluorophenyl)-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 120812974
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815
2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778544
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
3-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811686
5-bromo-2-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813796
3-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 120811604
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride (CID 120811046) is 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GDHNNIQNEXGWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N3O.ClH/c18-10-1-2-14(19)12(7-10)11-8-13(11)16(26)24-9-15(17(20,21)22)25-5-3-23-4-6-25;/h1-2,7,11,13,15,23H,3-6,8-9H2,(H,24,26);1H.
What are the key properties of 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride?
2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 413.82 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120811046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).