3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide

C24H23F2N3O2 — CID 86297090

IUPAC3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
InChIKeyJENDIFUUBSMNTQ-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.08
Rot. Bonds5

About 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide

3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide (PubChem CID 86297090) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide
PubChem CID86297090
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
InChIKeyJENDIFUUBSMNTQ-UHFFFAOYSA-N
XLogP5.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 6450815
CID 6450815
CID 16109023
CID 16109023
CID 16118737
CID 16118737
CID 129010136
CID 129010136
CID 15950748
CID 15950748
CID 16118605
CID 16118605
CID 16118609
CID 16118609
CID 16118739
CID 16118739
CID 16748745
CID 16748745
CID 24856364
CID 24856364
CID 16086114
CID 16086114
CID 16086116
CID 16086116

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide (CID 86297090) is 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide?
The InChIKey is JENDIFUUBSMNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30).
What are the key properties of 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide?
3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide has a molecular weight of 423.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]benzamide is sourced from PubChem (CID 86297090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).