3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide

C19H17FN4O2 — CID 42474345

IUPAC3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1
InChIInChI=1S/C19H17FN4O2/c1-12-21-17(11-18(22-12)26-2)23-15-6-8-16(9-7-15)24-19(25)13-4-3-5-14(20)10-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyNFJTXJDQBYFVET-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.93
Rot. Bonds5

About 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide

3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 42474345) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID42474345
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1
InChIInChI=1S/C19H17FN4O2/c1-12-21-17(11-18(22-12)26-2)23-15-6-8-16(9-7-15)24-19(25)13-4-3-5-14(20)10-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyNFJTXJDQBYFVET-UHFFFAOYSA-N
XLogP3.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide (CID 42474345) is 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide is COc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1.
What is the InChIKey of 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is NFJTXJDQBYFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-21-17(11-18(22-12)26-2)23-15-6-8-16(9-7-15)24-19(25)13-4-3-5-14(20)10-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide?
3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 42474345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).