2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C20H15F3N4O2 — CID 24824046

IUPAC2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1
InChIInChI=1S/C20H15F3N4O2/c1-12-5-6-15(8-17(12)19(29)27-16-9-24-11-25-10-16)26-18(28)13-3-2-4-14(7-13)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29)
InChIKeyMDBBPOZQZACUGK-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.31
Rot. Bonds4

About 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 24824046) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID24824046
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1
InChIInChI=1S/C20H15F3N4O2/c1-12-5-6-15(8-17(12)19(29)27-16-9-24-11-25-10-16)26-18(28)13-3-2-4-14(7-13)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29)
InChIKeyMDBBPOZQZACUGK-UHFFFAOYSA-N
XLogP4.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bafetinib
CID 11387605
Flumatinib
CID 46848036
6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Ica-069673
CID 10149311
Ddr-trk-1
CID 121231414
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
3-(2-(2-aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11545702
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16109016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 24824046) is 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1.
What is the InChIKey of 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is MDBBPOZQZACUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-5-6-15(8-17(12)19(29)27-16-9-24-11-25-10-16)26-18(28)13-3-2-4-14(7-13)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 400.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-5-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 24824046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).