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

C20H16F3N5O2 — CID 15950748

IUPACN-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1
InChIInChI=1S/C20H16F3N5O2/c1-11-5-6-14(8-16(11)18(30)28-15-9-25-19(24)26-10-15)27-17(29)12-3-2-4-13(7-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)(H2,24,25,26)
InChIKeyHZYVHWDHIRWTNY-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.89
Rot. Bonds4

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

N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 15950748) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID15950748
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC NameN-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1
InChIInChI=1S/C20H16F3N5O2/c1-11-5-6-14(8-16(11)18(30)28-15-9-25-19(24)26-10-15)27-17(29)12-3-2-4-13(7-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)(H2,24,25,26)
InChIKeyHZYVHWDHIRWTNY-UHFFFAOYSA-N
XLogP3.89
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 15950748) is N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1.
What is the InChIKey of N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is HZYVHWDHIRWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-11-5-6-14(8-16(11)18(30)28-15-9-25-19(24)26-10-15)27-17(29)12-3-2-4-13(7-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)(H2,24,25,26).
What are the key properties of N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 415.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopyrimidin-5-yl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 15950748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).