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

C24H22F3N3O2 — CID 86296699

IUPACN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyNOPNJPVZJCPTKV-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.16
Rot. Bonds4

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

N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86296699) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID86296699
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyNOPNJPVZJCPTKV-UHFFFAOYSA-N
XLogP5.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(3-morpholinopropylamino)quinazolin-6-yl)benzamide
CID 16086116

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 86296699) is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NOPNJPVZJCPTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 441.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86296699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).