N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide

C24H31FN4O2 — CID 8793749

IUPACN-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H31FN4O2/c1-18-7-6-8-19(2)24(18)26-22(30)16-27(3)17-23(31)29-13-11-28(12-14-29)15-20-9-4-5-10-21(20)25/h4-10H,11-17H2,1-3H3,(H,26,30)
InChIKeyNLXSLCYTTJFKEM-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.66
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8793749) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID8793749
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H31FN4O2/c1-18-7-6-8-19(2)24(18)26-22(30)16-27(3)17-23(31)29-13-11-28(12-14-29)15-20-9-4-5-10-21(20)25/h4-10H,11-17H2,1-3H3,(H,26,30)
InChIKeyNLXSLCYTTJFKEM-UHFFFAOYSA-N
XLogP2.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide (CID 8793749) is N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is NLXSLCYTTJFKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-18-7-6-8-19(2)24(18)26-22(30)16-27(3)17-23(31)29-13-11-28(12-14-29)15-20-9-4-5-10-21(20)25/h4-10H,11-17H2,1-3H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8793749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).