N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide

C19H15F2N3O2 — CID 108742551

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)c3cc(F)ccc3F)cc2)n1
InChIInChI=1S/C19H15F2N3O2/c1-11-9-12(2)23-19(22-11)26-15-6-4-14(5-7-15)24-18(25)16-10-13(20)3-8-17(16)21/h3-10H,1-2H3,(H,24,25)
InChIKeyBBOWYQOENSSKMY-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.42
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide (PubChem CID 108742551) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
PubChem CID108742551
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)c3cc(F)ccc3F)cc2)n1
InChIInChI=1S/C19H15F2N3O2/c1-11-9-12(2)23-19(22-11)26-15-6-4-14(5-7-15)24-18(25)16-10-13(20)3-8-17(16)21/h3-10H,1-2H3,(H,24,25)
InChIKeyBBOWYQOENSSKMY-UHFFFAOYSA-N
XLogP4.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate
CID 108742520
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
CID 108783145

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide (CID 108742551) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide is Cc1cc(C)nc(Oc2ccc(NC(=O)c3cc(F)ccc3F)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide?
The InChIKey is BBOWYQOENSSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-11-9-12(2)23-19(22-11)26-15-6-4-14(5-7-15)24-18(25)16-10-13(20)3-8-17(16)21/h3-10H,1-2H3,(H,24,25).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide has a molecular weight of 355.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide is sourced from PubChem (CID 108742551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).