N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide

C19H15F3N4O — CID 91076966

IUPACN-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
SMILESCN(c1ccc(C(F)(F)F)cc1)c1nccc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C19H15F3N4O/c1-26(15-9-7-14(8-10-15)19(20,21)22)18-23-12-11-16(25-18)24-17(27)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24,25,27)
InChIKeyAABBVAXVOKHGRM-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.52
Rot. Bonds4

About N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide

N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide (PubChem CID 91076966) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
PubChem CID91076966
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
SMILESCN(c1ccc(C(F)(F)F)cc1)c1nccc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C19H15F3N4O/c1-26(15-9-7-14(8-10-15)19(20,21)22)18-23-12-11-16(25-18)24-17(27)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24,25,27)
InChIKeyAABBVAXVOKHGRM-UHFFFAOYSA-N
XLogP4.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide (CID 91076966) is N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide is CN(c1ccc(C(F)(F)F)cc1)c1nccc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide?
The InChIKey is AABBVAXVOKHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-26(15-9-7-14(8-10-15)19(20,21)22)18-23-12-11-16(25-18)24-17(27)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24,25,27).
What are the key properties of N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide?
N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide has a molecular weight of 372.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-methyl-4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 91076966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).