2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C16H20F5N3O2 — CID 120812855

IUPAC2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H20F5N3O2/c1-10(26-11-2-3-12(17)13(18)8-11)15(25)23-9-14(16(19,20)21)24-6-4-22-5-7-24/h2-3,8,10,14,22H,4-7,9H2,1H3,(H,23,25)
InChIKeyGUVFFACWZPHSII-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.68
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120812855) has the molecular formula C16H20F5N3O2 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120812855
Molecular FormulaC16H20F5N3O2
Molecular Weight381.35 g/mol
Exact Mass381.15
IUPAC Name2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H20F5N3O2/c1-10(26-11-2-3-12(17)13(18)8-11)15(25)23-9-14(16(19,20)21)24-6-4-22-5-7-24/h2-3,8,10,14,22H,4-7,9H2,1H3,(H,23,25)
InChIKeyGUVFFACWZPHSII-UHFFFAOYSA-N
XLogP1.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813833
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811051
2-(4-methoxyphenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811618
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813563
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
2-(3-propan-2-yloxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812892
2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811739
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-(3-methylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813457
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
4-(trifluoromethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811723

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120812855) is 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is GUVFFACWZPHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F5N3O2/c1-10(26-11-2-3-12(17)13(18)8-11)15(25)23-9-14(16(19,20)21)24-6-4-22-5-7-24/h2-3,8,10,14,22H,4-7,9H2,1H3,(H,23,25).
What are the key properties of 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 381.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120812855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).