3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide

C16H24FN3O2 — CID 166188604

IUPAC3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOCCN(C)C(=O)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C16H24FN3O2/c1-18-6-8-20(9-7-18)15-5-4-13(12-14(15)17)16(21)19(2)10-11-22-3/h4-5,12H,6-11H2,1-3H3
InChIKeyFPQSFJYVUQPISG-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.30
Rot. Bonds5

About 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide

3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 166188604) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID166188604
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOCCN(C)C(=O)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C16H24FN3O2/c1-18-6-8-20(9-7-18)15-5-4-13(12-14(15)17)16(21)19(2)10-11-22-3/h4-5,12H,6-11H2,1-3H3
InChIKeyFPQSFJYVUQPISG-UHFFFAOYSA-N
XLogP1.30
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyethyl)-1-methylurea
CID 56827083
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
4-(4-acetyl-2-fluorophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 17407851
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
CID 143046254
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
[(E)-but-2-enyl] 3-fluoro-4-(4-methylpiperazin-1-yl)benzoate
CID 75440106
3-fluoro-N-[(3-methylimidazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 126804994
N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide
CID 126797768
2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 23540092
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
3-fluoro-4-[[2-methoxyethyl(methyl)amino]methyl]benzoic acid
CID 63072987

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide (CID 166188604) is 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide is COCCN(C)C(=O)c1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FPQSFJYVUQPISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-18-6-8-20(9-7-18)15-5-4-13(12-14(15)17)16(21)19(2)10-11-22-3/h4-5,12H,6-11H2,1-3H3.
What are the key properties of 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide?
3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 309.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 166188604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).