3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide

C16H14N4O2 — CID 69123933

IUPAC3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C16H14N4O2/c17-16(21)13-2-1-3-15(8-13)22-9-12-4-6-14(7-5-12)20-11-18-10-19-20/h1-8,10-11H,9H2,(H2,17,21)
InChIKeyNDDHZGZECIFZDU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.95
Rot. Bonds5

About 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide

3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide (PubChem CID 69123933) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
PubChem CID69123933
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C16H14N4O2/c17-16(21)13-2-1-3-15(8-13)22-9-12-4-6-14(7-5-12)20-11-18-10-19-20/h1-8,10-11H,9H2,(H2,17,21)
InChIKeyNDDHZGZECIFZDU-UHFFFAOYSA-N
XLogP1.95
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(3-methylphenyl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 134037268
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24685517
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
3-(pyrazol-1-ylmethoxy)benzamide
CID 59403018
3-methoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17461750

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide?
The IUPAC name of 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide (CID 69123933) is 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide.
What is the SMILES notation for 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide?
The canonical SMILES for 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide is NC(=O)c1cccc(OCc2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide?
The InChIKey is NDDHZGZECIFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-16(21)13-2-1-3-15(8-13)22-9-12-4-6-14(7-5-12)20-11-18-10-19-20/h1-8,10-11H,9H2,(H2,17,21).
What are the key properties of 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide?
3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide is sourced from PubChem (CID 69123933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).