3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide

C28H30F2N4O3 — CID 90461177

IUPAC3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H30F2N4O3/c1-19-5-6-23(31-28(35)21-4-2-3-20(15-21)27(29)30)18-24(19)22-16-25(33-7-11-36-12-8-33)32-26(17-22)34-9-13-37-14-10-34/h2-6,15-18,27H,7-14H2,1H3,(H,31,35)
InChIKeyGWGGUTZJIZNMNO-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.92
Rot. Bonds6

About 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide

3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide (PubChem CID 90461177) has the molecular formula C28H30F2N4O3 and a molecular weight of 508.57 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide
PubChem CID90461177
Molecular FormulaC28H30F2N4O3
Molecular Weight508.57 g/mol
Exact Mass508.23
IUPAC Name3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H30F2N4O3/c1-19-5-6-23(31-28(35)21-4-2-3-20(15-21)27(29)30)18-24(19)22-16-25(33-7-11-36-12-8-33)32-26(17-22)34-9-13-37-14-10-34/h2-6,15-18,27H,7-14H2,1H3,(H,31,35)
InChIKeyGWGGUTZJIZNMNO-UHFFFAOYSA-N
XLogP4.92
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide (CID 90461177) is 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide?
The InChIKey is GWGGUTZJIZNMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O3/c1-19-5-6-23(31-28(35)21-4-2-3-20(15-21)27(29)30)18-24(19)22-16-25(33-7-11-36-12-8-33)32-26(17-22)34-9-13-37-14-10-34/h2-6,15-18,27H,7-14H2,1H3,(H,31,35).
What are the key properties of 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide?
3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide has a molecular weight of 508.57 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 90461177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).