2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide

C19H22F2N4O2 — CID 141176337

IUPAC2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide
SMILESCOc1nc(NC2CCC(NC(=O)c3cccc(F)c3F)CC2)ncc1C
InChIInChI=1S/C19H22F2N4O2/c1-11-10-22-19(25-18(11)27-2)24-13-8-6-12(7-9-13)23-17(26)14-4-3-5-15(20)16(14)21/h3-5,10,12-13H,6-9H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyOUTNSSQEOFCCDJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.22
Rot. Bonds5

About 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide

2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide (PubChem CID 141176337) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide
PubChem CID141176337
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide
SMILESCOc1nc(NC2CCC(NC(=O)c3cccc(F)c3F)CC2)ncc1C
InChIInChI=1S/C19H22F2N4O2/c1-11-10-22-19(25-18(11)27-2)24-13-8-6-12(7-9-13)23-17(26)14-4-3-5-15(20)16(14)21/h3-5,10,12-13H,6-9H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyOUTNSSQEOFCCDJ-UHFFFAOYSA-N
XLogP3.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
CID 23026734
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide
CID 173027050
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide (CID 141176337) is 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide is COc1nc(NC2CCC(NC(=O)c3cccc(F)c3F)CC2)ncc1C.
What is the InChIKey of 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide?
The InChIKey is OUTNSSQEOFCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-11-10-22-19(25-18(11)27-2)24-13-8-6-12(7-9-13)23-17(26)14-4-3-5-15(20)16(14)21/h3-5,10,12-13H,6-9H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide?
2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide has a molecular weight of 376.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 141176337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).