N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C14H15F3N4O — CID 94840300

IUPACN-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H](Cn1cncn1)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-10(7-21-9-18-8-19-21)20-13(22)6-11-3-2-4-12(5-11)14(15,16)17/h2-5,8-10H,6-7H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyUQCWYTKJNFKFHC-SNVBAGLBSA-N
MW312.30 g/mol
LogP2.04
Rot. Bonds5

About N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 94840300) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID94840300
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC NameN-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H](Cn1cncn1)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-10(7-21-9-18-8-19-21)20-13(22)6-11-3-2-4-12(5-11)14(15,16)17/h2-5,8-10H,6-7H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyUQCWYTKJNFKFHC-SNVBAGLBSA-N
XLogP2.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 94840300) is N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is C[C@H](Cn1cncn1)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UQCWYTKJNFKFHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-10(7-21-9-18-8-19-21)20-13(22)6-11-3-2-4-12(5-11)14(15,16)17/h2-5,8-10H,6-7H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 312.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 94840300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).