2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide

C18H26F2N4O — CID 166307882

IUPAC2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)N1CCC1CF
InChIInChI=1S/C18H26F2N4O/c19-14-15-6-9-24(15)18(25)21-7-3-8-22-10-12-23(13-11-22)17-5-2-1-4-16(17)20/h1-2,4-5,15H,3,6-14H2,(H,21,25)
InChIKeyCCAMPNXLINGCRX-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.09
Rot. Bonds6

About 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide

2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide (PubChem CID 166307882) has the molecular formula C18H26F2N4O and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
PubChem CID166307882
Molecular FormulaC18H26F2N4O
Molecular Weight352.43 g/mol
Exact Mass352.21
IUPAC Name2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)N1CCC1CF
InChIInChI=1S/C18H26F2N4O/c19-14-15-6-9-24(15)18(25)21-7-3-8-22-10-12-23(13-11-22)17-5-2-1-4-16(17)20/h1-2,4-5,15H,3,6-14H2,(H,21,25)
InChIKeyCCAMPNXLINGCRX-UHFFFAOYSA-N
XLogP2.09
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 5307425
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
CID 126449328
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide?
The IUPAC name of 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide (CID 166307882) is 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide.
What is the SMILES notation for 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide?
The canonical SMILES for 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)N1CCC1CF.
What is the InChIKey of 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide?
The InChIKey is CCAMPNXLINGCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O/c19-14-15-6-9-24(15)18(25)21-7-3-8-22-10-12-23(13-11-22)17-5-2-1-4-16(17)20/h1-2,4-5,15H,3,6-14H2,(H,21,25).
What are the key properties of 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide?
2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide is sourced from PubChem (CID 166307882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).