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

C18H16Cl2N4O2 — CID 55867604

IUPAC2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C18H16Cl2N4O2/c19-16-5-4-15(7-17(16)20)26-10-18(25)22-8-13-2-1-3-14(6-13)9-24-12-21-11-23-24/h1-7,11-12H,8-10H2,(H,22,25)
InChIKeyLAUGAYFNRHXTQX-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.33
Rot. Bonds7

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

2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55867604) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55867604
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C18H16Cl2N4O2/c19-16-5-4-15(7-17(16)20)26-10-18(25)22-8-13-2-1-3-14(6-13)9-24-12-21-11-23-24/h1-7,11-12H,8-10H2,(H,22,25)
InChIKeyLAUGAYFNRHXTQX-UHFFFAOYSA-N
XLogP3.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86929677
2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47058694
2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55751613
2-(4-propan-2-ylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298559
2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797782
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141819
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55852862
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 55972180
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55525747
2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55769192

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55867604) is 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(Cn2cncn2)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is LAUGAYFNRHXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c19-16-5-4-15(7-17(16)20)26-10-18(25)22-8-13-2-1-3-14(6-13)9-24-12-21-11-23-24/h1-7,11-12H,8-10H2,(H,22,25).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 391.26 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55867604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).