N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide

C20H19FN4O2 — CID 42474427

IUPACN-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
SMILESCCOc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1
InChIInChI=1S/C20H19FN4O2/c1-3-27-19-12-18(22-13(2)23-19)24-14-8-10-15(11-9-14)25-20(26)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyCFNJRNJHMUEKQT-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.32
Rot. Bonds6

About N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide

N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide (PubChem CID 42474427) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
PubChem CID42474427
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
SMILESCCOc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1
InChIInChI=1S/C20H19FN4O2/c1-3-27-19-12-18(22-13(2)23-19)24-14-8-10-15(11-9-14)25-20(26)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyCFNJRNJHMUEKQT-UHFFFAOYSA-N
XLogP4.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42065448
1-(4-chlorophenyl)-3-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 42474625
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 42474443
2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 46267964
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
CID 42474406
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42474486
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
CID 121032203
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide (CID 42474427) is N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide is CCOc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide?
The InChIKey is CFNJRNJHMUEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-3-27-19-12-18(22-13(2)23-19)24-14-8-10-15(11-9-14)25-20(26)16-6-4-5-7-17(16)21/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide?
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide has a molecular weight of 366.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 42474427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).