2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

C18H19F2N5O3 — CID 4789743

IUPAC2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C18H19F2N5O3/c19-17(20)28-14-5-2-1-4-13(14)16(27)23-12-15(26)24-8-10-25(11-9-24)18-21-6-3-7-22-18/h1-7,17H,8-12H2,(H,23,27)
InChIKeyULGSDRJSYIRTCT-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.16
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 4789743) has the molecular formula C18H19F2N5O3 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID4789743
Molecular FormulaC18H19F2N5O3
Molecular Weight391.38 g/mol
Exact Mass391.15
IUPAC Name2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C18H19F2N5O3/c19-17(20)28-14-5-2-1-4-13(14)16(27)23-12-15(26)24-8-10-25(11-9-24)18-21-6-3-7-22-18/h1-7,17H,8-12H2,(H,23,27)
InChIKeyULGSDRJSYIRTCT-UHFFFAOYSA-N
XLogP1.16
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Eleclazine
CID 71183216
Sun 8399
CID 131339
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)-N-ethylpiperidine-1-carboxamide
CID 10023782
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
5-(2-(2-aminopyrimidin-5-yl)ethynyl)-2-methoxy-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 11620207
Gsk-1059865
CID 44463491
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
Pyrimidine-4-carboxamide, 73
CID 44520950

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 4789743) is 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is ULGSDRJSYIRTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O3/c19-17(20)28-14-5-2-1-4-13(14)16(27)23-12-15(26)24-8-10-25(11-9-24)18-21-6-3-7-22-18/h1-7,17H,8-12H2,(H,23,27).
What are the key properties of 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 391.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 4789743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).