2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide

C22H26FN3O4 — CID 75467420

IUPAC2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(OCC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C22H26FN3O4/c1-29-17-5-4-6-18(15-17)30-16-21(27)26-13-11-25(12-14-26)10-9-24-22(28)19-7-2-3-8-20(19)23/h2-8,15H,9-14,16H2,1H3,(H,24,28)
InChIKeyFEUTZKDCZSYAGA-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.79
Rot. Bonds8

About 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide

2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 75467420) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide
PubChem CID75467420
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(OCC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C22H26FN3O4/c1-29-17-5-4-6-18(15-17)30-16-21(27)26-13-11-25(12-14-26)10-9-24-22(28)19-7-2-3-8-20(19)23/h2-8,15H,9-14,16H2,1H3,(H,24,28)
InChIKeyFEUTZKDCZSYAGA-UHFFFAOYSA-N
XLogP1.79
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
N-[2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]ethyl]-2-fluorobenzamide;dihydrochloride
CID 120596619
2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782662
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072062
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide (CID 75467420) is 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide is COc1cccc(OCC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is FEUTZKDCZSYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-29-17-5-4-6-18(15-17)30-16-21(27)26-13-11-25(12-14-26)10-9-24-22(28)19-7-2-3-8-20(19)23/h2-8,15H,9-14,16H2,1H3,(H,24,28).
What are the key properties of 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 75467420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).