N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

C14H12F3N3O — CID 155435154

IUPACN-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C14H12F3N3O/c1-9(20-12(21)10-5-3-2-4-6-10)11-7-18-13(19-8-11)14(15,16)17/h2-9H,1H3,(H,20,21)
InChIKeyRJGHOQKSGMXSQD-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.99
Rot. Bonds3

About N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 155435154) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
PubChem CID155435154
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C14H12F3N3O/c1-9(20-12(21)10-5-3-2-4-6-10)11-7-18-13(19-8-11)14(15,16)17/h2-9H,1H3,(H,20,21)
InChIKeyRJGHOQKSGMXSQD-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 142738524
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235
3-hydroxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 121397827
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-[1,1-dichloro-2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 142797562
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 155435154) is N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is RJGHOQKSGMXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-9(20-12(21)10-5-3-2-4-6-10)11-7-18-13(19-8-11)14(15,16)17/h2-9H,1H3,(H,20,21).
What are the key properties of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?
N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 155435154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).