2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide

C21H20F2N4O2 — CID 42065448

IUPAC2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
SMILESCCCOc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(C)n1
InChIInChI=1S/C21H20F2N4O2/c1-3-11-29-19-12-18(24-13(2)25-19)26-14-7-9-15(10-8-14)27-21(28)20-16(22)5-4-6-17(20)23/h4-10,12H,3,11H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyGXHGVHUSTSZMKV-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.85
Rot. Bonds7

About 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide

2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 42065448) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID42065448
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
SMILESCCCOc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(C)n1
InChIInChI=1S/C21H20F2N4O2/c1-3-11-29-19-12-18(24-13(2)25-19)26-14-7-9-15(10-8-14)27-21(28)20-16(22)5-4-6-17(20)23/h4-10,12H,3,11H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyGXHGVHUSTSZMKV-UHFFFAOYSA-N
XLogP4.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 42474427
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42474486
1-(2-ethoxyphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea
CID 42474648
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 42474443
3-fluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474858
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
1-(4-chlorophenyl)-3-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 42474625
2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455
N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474846
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
CID 42474406
4-chloro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474856

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide (CID 42065448) is 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide is CCCOc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(C)n1.
What is the InChIKey of 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is GXHGVHUSTSZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-3-11-29-19-12-18(24-13(2)25-19)26-14-7-9-15(10-8-14)27-21(28)20-16(22)5-4-6-17(20)23/h4-10,12H,3,11H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 42065448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).