N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide

C20H30ClFN4O2 — CID 55461829

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H30ClFN4O2/c1-4-26(5-2)20(28)15-25-11-9-24(10-12-25)14-19(27)23(3)13-16-17(21)7-6-8-18(16)22/h6-8H,4-5,9-15H2,1-3H3
InChIKeyZLBNPTVOGZZBNK-UHFFFAOYSA-N
MW412.94 g/mol
LogP1.92
Rot. Bonds8

About N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 55461829) has the molecular formula C20H30ClFN4O2 and a molecular weight of 412.94 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
PubChem CID55461829
Molecular FormulaC20H30ClFN4O2
Molecular Weight412.94 g/mol
Exact Mass412.20
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H30ClFN4O2/c1-4-26(5-2)20(28)15-25-11-9-24(10-12-25)14-19(27)23(3)13-16-17(21)7-6-8-18(16)22/h6-8H,4-5,9-15H2,1-3H3
InChIKeyZLBNPTVOGZZBNK-UHFFFAOYSA-N
XLogP1.92
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31692312
2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 39783235
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
CID 46490768
2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 55739343
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919099
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17499286
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide (CID 55461829) is N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide is CCN(CC)C(=O)CN1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is ZLBNPTVOGZZBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClFN4O2/c1-4-26(5-2)20(28)15-25-11-9-24(10-12-25)14-19(27)23(3)13-16-17(21)7-6-8-18(16)22/h6-8H,4-5,9-15H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 412.94 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55461829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).