N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide

C12H10F3N3O — CID 174933572

IUPACN-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide
SMILESO=C(NN1C=CC(C(F)(F)F)=NC1)c1ccccc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-6-7-18(8-16-10)17-11(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,19)
InChIKeyMSVWKTXEJGSTDK-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.12
Rot. Bonds2

About N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide

N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide (PubChem CID 174933572) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide
PubChem CID174933572
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide
SMILESO=C(NN1C=CC(C(F)(F)F)=NC1)c1ccccc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-6-7-18(8-16-10)17-11(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,19)
InChIKeyMSVWKTXEJGSTDK-UHFFFAOYSA-N
XLogP2.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide?
The IUPAC name of N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide (CID 174933572) is N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide?
The canonical SMILES for N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide is O=C(NN1C=CC(C(F)(F)F)=NC1)c1ccccc1.
What is the InChIKey of N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide?
The InChIKey is MSVWKTXEJGSTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)10-6-7-18(8-16-10)17-11(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,17,19).
What are the key properties of N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide?
N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide has a molecular weight of 269.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]benzamide is sourced from PubChem (CID 174933572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).