N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

C18H16F2N4O — CID 49011755

IUPACN-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H16F2N4O/c19-15-5-1-3-13(7-15)8-17(14-4-2-6-16(20)9-14)23-18(25)10-24-12-21-11-22-24/h1-7,9,11-12,17H,8,10H2,(H,23,25)
InChIKeyWZZGNEBLVLJEMG-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.66
Rot. Bonds6

About N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 49011755) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID49011755
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H16F2N4O/c19-15-5-1-3-13(7-15)8-17(14-4-2-6-16(20)9-14)23-18(25)10-24-12-21-11-22-24/h1-7,9,11-12,17H,8,10H2,(H,23,25)
InChIKeyWZZGNEBLVLJEMG-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95040075
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56822052
N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95160043
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975659
2-(3-fluorophenyl)-2-hydroxy-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 91763037
N-[1,2-bis(3-fluorophenyl)ethyl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 49011641
N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92577329
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 49011755) is N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is WZZGNEBLVLJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-15-5-1-3-13(7-15)8-17(14-4-2-6-16(20)9-14)23-18(25)10-24-12-21-11-22-24/h1-7,9,11-12,17H,8,10H2,(H,23,25).
What are the key properties of N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 49011755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).