2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C19H19ClN4O2 — CID 47058694

IUPAC2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COCc1ccccc1Cl)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C19H19ClN4O2/c20-18-7-2-1-6-17(18)11-26-12-19(25)22-9-15-4-3-5-16(8-15)10-24-14-21-13-23-24/h1-8,13-14H,9-12H2,(H,22,25)
InChIKeyUWPXXEWFYQQNNJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.81
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 47058694) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID47058694
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COCc1ccccc1Cl)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C19H19ClN4O2/c20-18-7-2-1-6-17(18)11-26-12-19(25)22-9-15-4-3-5-16(8-15)10-24-14-21-13-23-24/h1-8,13-14H,9-12H2,(H,22,25)
InChIKeyUWPXXEWFYQQNNJ-UHFFFAOYSA-N
XLogP2.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55751613
N-[[3-(carbamoylamino)phenyl]methyl]-2-[(2-chlorophenyl)methoxy]acetamide
CID 51090626
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
2-[(2-chlorophenyl)methoxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55801251
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141819
2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55769192
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 55839998
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316
2-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 56815944
2-(4-propan-2-ylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298559
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 47058694) is 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COCc1ccccc1Cl)NCc1cccc(Cn2cncn2)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is UWPXXEWFYQQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-18-7-2-1-6-17(18)11-26-12-19(25)22-9-15-4-3-5-16(8-15)10-24-14-21-13-23-24/h1-8,13-14H,9-12H2,(H,22,25).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 370.84 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 47058694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).