4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide

C24H26FN5O2 — CID 78387585

IUPAC4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ncccn2)CC1
InChIInChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3
InChIKeyADELHWYAKAZUCR-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.09
Rot. Bonds7

About 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide

4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide (PubChem CID 78387585) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
PubChem CID78387585
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ncccn2)CC1
InChIInChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3
InChIKeyADELHWYAKAZUCR-UHFFFAOYSA-N
XLogP3.09
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-ylbenzamide
CID 10365405
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 71752990
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
1-(hydroxymethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 140642007
3-(fluoromethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yladamantane-1-carboxamide
CID 57403172
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335653

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide (CID 78387585) is 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide is COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ncccn2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide?
The InChIKey is ADELHWYAKAZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3.
What are the key properties of 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide?
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide has a molecular weight of 435.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 78387585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).