3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C23H20N4O2 — CID 55619118

IUPAC3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cncn1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H20N4O2/c28-23(18-9-6-12-22(13-18)29-21-10-2-1-3-11-21)25-14-19-7-4-5-8-20(19)15-27-17-24-16-26-27/h1-13,16-17H,14-15H2,(H,25,28)
InChIKeyUBRCXNFXPGOILF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.05
Rot. Bonds7

About 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55619118) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55619118
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cncn1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H20N4O2/c28-23(18-9-6-12-22(13-18)29-21-10-2-1-3-11-21)25-14-19-7-4-5-8-20(19)15-27-17-24-16-26-27/h1-13,16-17H,14-15H2,(H,25,28)
InChIKeyUBRCXNFXPGOILF-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55852862
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55619118) is 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1Cn1cncn1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is UBRCXNFXPGOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(18-9-6-12-22(13-18)29-21-10-2-1-3-11-21)25-14-19-7-4-5-8-20(19)15-27-17-24-16-26-27/h1-13,16-17H,14-15H2,(H,25,28).
What are the key properties of 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55619118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).