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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Befetupitant
CID 6450815
3-(2-(6-aminopyridin-3-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109023
Aminopyrimidine amide, 13b
CID 16118737
[4-[6-Amino-5-[4-(trifluoromethyl)phenyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 53311133
N-(3-Tert-Butylphenyl)-4-Methyl-3-[6-(Morpholin-4-Yl)pyrimidin-4-Yl]benzamide
CID 129010136
N-(2-amino-5-pyrimidinyl)-2-methyl-5-(((3-(trifluoromethyl)phenyl)carbonyl)amino)benzamide
CID 15950748
Aminopyrimidine amide, 13e
CID 16118605
Aminopyrimidine amide, 13c
CID 16118609
Aminopyrimidine amide, 13d
CID 16118739
2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748745
N-{4'-[(Cyclopropylmethyl)carbamoyl]-6-Methylbiphenyl-3-Yl}-2-Morpholin-4-Ylpyridine-4-Carboxamide
CID 24856364
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086114

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).