N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide

C20H18FN3O2 — CID 162753036

IUPACN-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOc2ncc(-c3ccccc3F)cn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-14-6-8-15(9-7-14)19(25)22-10-11-26-20-23-12-16(13-24-20)17-4-2-3-5-18(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeyLFGQIUXMRPBAAV-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.40
Rot. Bonds6

About N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide

N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide (PubChem CID 162753036) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
PubChem CID162753036
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOc2ncc(-c3ccccc3F)cn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-14-6-8-15(9-7-14)19(25)22-10-11-26-20-23-12-16(13-24-20)17-4-2-3-5-18(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeyLFGQIUXMRPBAAV-UHFFFAOYSA-N
XLogP3.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
CID 162753020
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide
CID 166984084
3-(2-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084261
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798
N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 138674362
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-4-methylbenzamide
CID 42109284
2-acetamido-N-[5-(2-fluorophenyl)-2-pyridinyl]acetamide
CID 141044330

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide (CID 162753036) is N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCOc2ncc(-c3ccccc3F)cn2)cc1.
What is the InChIKey of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?
The InChIKey is LFGQIUXMRPBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-6-8-15(9-7-14)19(25)22-10-11-26-20-23-12-16(13-24-20)17-4-2-3-5-18(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?
N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide has a molecular weight of 351.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide is sourced from PubChem (CID 162753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).