N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

C22H17FN4O2 — CID 24535888

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-5-11-21(12-6-18)29-20-9-1-16(2-10-20)13-25-22(28)17-3-7-19(8-4-17)27-15-24-14-26-27/h1-12,14-15H,13H2,(H,25,28)
InChIKeyRRRBBSLNPSQKBG-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.13
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 24535888) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID24535888
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-5-11-21(12-6-18)29-20-9-1-16(2-10-20)13-25-22(28)17-3-7-19(8-4-17)27-15-24-14-26-27/h1-12,14-15H,13H2,(H,25,28)
InChIKeyRRRBBSLNPSQKBG-UHFFFAOYSA-N
XLogP4.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 112828582
3-[(4-fluorophenyl)methyl]-1-methyl-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 51325866
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 172658394
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55845079
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734456

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 24535888) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is RRRBBSLNPSQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-18-5-11-21(12-6-18)29-20-9-1-16(2-10-20)13-25-22(28)17-3-7-19(8-4-17)27-15-24-14-26-27/h1-12,14-15H,13H2,(H,25,28).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 388.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 24535888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).