N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C18H17FN4O2 — CID 18145603

IUPACN-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCCOc1ccccc1F)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17FN4O2/c19-16-3-1-2-4-17(16)25-10-9-21-18(24)15-7-5-14(6-8-15)11-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24)
InChIKeyKERIWTIILJLSCX-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 18145603) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID18145603
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCCOc1ccccc1F)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17FN4O2/c19-16-3-1-2-4-17(16)25-10-9-21-18(24)15-7-5-14(6-8-15)11-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24)
InChIKeyKERIWTIILJLSCX-UHFFFAOYSA-N
XLogP2.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

rac-2-((1H-1,2,4-triazol-1-yl)methyl)-N-(1-(3-fluoro-4-methoxyphenyl)ethyl)benzamide
CID 46968847
4-methoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588885
4-butoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588892
3-[3-(1,2,4-Triazol-1-yl)propoxy]benzamide
CID 71713927
3-[4-(1,2,4-Triazol-1-yl)butoxy]benzamide
CID 71713928
3-[(4-fluorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865619
N-{2-[2-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethyl}-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 45205078
N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46971938
4-(2-methylprop-2-enoxy)-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 52390857
3-(5-methylfuran-2-yl)-N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]propanamide
CID 71909335
N-benzyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 72119314
[2-(4-fluoro-2-{[4-(4H-1,2,4-triazol-4-yl)-1-piperidinyl]carbonyl}phenoxy)ethyl]amine acetate
CID 119066126

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 18145603) is N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(NCCOc1ccccc1F)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is KERIWTIILJLSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-16-3-1-2-4-17(16)25-10-9-21-18(24)15-7-5-14(6-8-15)11-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 340.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 18145603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).