N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide

C20H20N4O2 — CID 75442387

IUPACN-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
SMILESCc1nnc(COc2cccc(NC(=O)c3ccccc3)c2)n1C1CC1
InChIInChI=1S/C20H20N4O2/c1-14-22-23-19(24(14)17-10-11-17)13-26-18-9-5-8-16(12-18)21-20(25)15-6-3-2-4-7-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)
InChIKeyFNARKIPGHBXUJR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.75
Rot. Bonds6

About N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide

N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide (PubChem CID 75442387) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
PubChem CID75442387
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide
SMILESCc1nnc(COc2cccc(NC(=O)c3ccccc3)c2)n1C1CC1
InChIInChI=1S/C20H20N4O2/c1-14-22-23-19(24(14)17-10-11-17)13-26-18-9-5-8-16(12-18)21-20(25)15-6-3-2-4-7-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)
InChIKeyFNARKIPGHBXUJR-UHFFFAOYSA-N
XLogP3.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The IUPAC name of N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide (CID 75442387) is N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide is Cc1nnc(COc2cccc(NC(=O)c3ccccc3)c2)n1C1CC1.
What is the InChIKey of N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
The InChIKey is FNARKIPGHBXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-22-23-19(24(14)17-10-11-17)13-26-18-9-5-8-16(12-18)21-20(25)15-6-3-2-4-7-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,25).
What are the key properties of N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide?
N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 75442387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).