5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide

C14H19ClFN3O — CID 117044847

IUPAC5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
SMILESCN1CCNC(CCNC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C14H19ClFN3O/c1-19-7-6-17-11(9-19)4-5-18-14(20)12-8-10(15)2-3-13(12)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyPVYSONHPVCMMDJ-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.50
Rot. Bonds4

About 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide

5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide (PubChem CID 117044847) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
PubChem CID117044847
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
SMILESCN1CCNC(CCNC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C14H19ClFN3O/c1-19-7-6-17-11(9-19)4-5-18-14(20)12-8-10(15)2-3-13(12)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyPVYSONHPVCMMDJ-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
CID 117044920
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
1-(3,4-difluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920019
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
1-(5-bromo-2-fluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920030
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
5-bromo-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239342
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide (CID 117044847) is 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide is CN1CCNC(CCNC(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide?
The InChIKey is PVYSONHPVCMMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-19-7-6-17-11(9-19)4-5-18-14(20)12-8-10(15)2-3-13(12)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20).
What are the key properties of 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide?
5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide has a molecular weight of 299.78 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide is sourced from PubChem (CID 117044847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).