3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide

C21H25FN4O2 — CID 120756225

IUPAC3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C21H25FN4O2/c1-25(2)21(28)16-6-4-8-18(12-16)24-20(27)14-26-10-9-23-13-19(26)15-5-3-7-17(22)11-15/h3-8,11-12,19,23H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyMOZLGFDXSAJDMK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.11
Rot. Bonds5

About 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 120756225) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID120756225
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C21H25FN4O2/c1-25(2)21(28)16-6-4-8-18(12-16)24-20(27)14-26-10-9-23-13-19(26)15-5-3-7-17(22)11-15/h3-8,11-12,19,23H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyMOZLGFDXSAJDMK-UHFFFAOYSA-N
XLogP2.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 120756225) is 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CN2CCNCC2c2cccc(F)c2)c1.
What is the InChIKey of 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is MOZLGFDXSAJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-25(2)21(28)16-6-4-8-18(12-16)24-20(27)14-26-10-9-23-13-19(26)15-5-3-7-17(22)11-15/h3-8,11-12,19,23H,9-10,13-14H2,1-2H3,(H,24,27).
What are the key properties of 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 120756225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).