3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide

C24H30ClFN4O2 — CID 46614906

IUPAC3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)c1
InChIInChI=1S/C24H30ClFN4O2/c1-3-30(4-2)24(32)18-7-5-8-19(15-18)27-23(31)17-29-13-11-28(12-14-29)16-20-21(25)9-6-10-22(20)26/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,27,31)
InChIKeyZIMOQSDQXTZDCW-UHFFFAOYSA-N
MW460.98 g/mol
LogP3.72
Rot. Bonds8

About 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 46614906) has the molecular formula C24H30ClFN4O2 and a molecular weight of 460.98 g/mol. Its IUPAC name is 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
PubChem CID46614906
Molecular FormulaC24H30ClFN4O2
Molecular Weight460.98 g/mol
Exact Mass460.20
IUPAC Name3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)c1
InChIInChI=1S/C24H30ClFN4O2/c1-3-30(4-2)24(32)18-7-5-8-19(15-18)27-23(31)17-29-13-11-28(12-14-29)16-20-21(25)9-6-10-22(20)26/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,27,31)
InChIKeyZIMOQSDQXTZDCW-UHFFFAOYSA-N
XLogP3.72
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide with MolForge

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Related Compounds

N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8596359
3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 26666862
tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 34197048
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 78792829
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31692312
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 78808378
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide (CID 46614906) is 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)c1.
What is the InChIKey of 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is ZIMOQSDQXTZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O2/c1-3-30(4-2)24(32)18-7-5-8-19(15-18)27-23(31)17-29-13-11-28(12-14-29)16-20-21(25)9-6-10-22(20)26/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,27,31).
What are the key properties of 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 460.98 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 46614906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).