N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide

C16H23F2N3O — CID 99632770

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide
SMILESCCN1CCN(CCNC(=O)c2cc(F)c(C)cc2F)CC1
InChIInChI=1S/C16H23F2N3O/c1-3-20-6-8-21(9-7-20)5-4-19-16(22)13-11-14(17)12(2)10-15(13)18/h10-11H,3-9H2,1-2H3,(H,19,22)
InChIKeyJSHALNLBTPHORP-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide (PubChem CID 99632770) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide
PubChem CID99632770
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide
SMILESCCN1CCN(CCNC(=O)c2cc(F)c(C)cc2F)CC1
InChIInChI=1S/C16H23F2N3O/c1-3-20-6-8-21(9-7-20)5-4-19-16(22)13-11-14(17)12(2)10-15(13)18/h10-11H,3-9H2,1-2H3,(H,19,22)
InChIKeyJSHALNLBTPHORP-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55660292
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide (CID 99632770) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide is CCN1CCN(CCNC(=O)c2cc(F)c(C)cc2F)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide?
The InChIKey is JSHALNLBTPHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-3-20-6-8-21(9-7-20)5-4-19-16(22)13-11-14(17)12(2)10-15(13)18/h10-11H,3-9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide is sourced from PubChem (CID 99632770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).