N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide

C14H14Cl2N4O2 — CID 71994855

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1)NCc1nncn1C1CC1
InChIInChI=1S/C14H14Cl2N4O2/c15-9-3-10(16)5-12(4-9)22-7-14(21)17-6-13-19-18-8-20(13)11-1-2-11/h3-5,8,11H,1-2,6-7H2,(H,17,21)
InChIKeyZOWABVXYKINJNW-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.62
Rot. Bonds6

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide (PubChem CID 71994855) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide
PubChem CID71994855
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1)NCc1nncn1C1CC1
InChIInChI=1S/C14H14Cl2N4O2/c15-9-3-10(16)5-12(4-9)22-7-14(21)17-6-13-19-18-8-20(13)11-1-2-11/h3-5,8,11H,1-2,6-7H2,(H,17,21)
InChIKeyZOWABVXYKINJNW-UHFFFAOYSA-N
XLogP2.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide (CID 71994855) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide is O=C(COc1cc(Cl)cc(Cl)c1)NCc1nncn1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide?
The InChIKey is ZOWABVXYKINJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-9-3-10(16)5-12(4-9)22-7-14(21)17-6-13-19-18-8-20(13)11-1-2-11/h3-5,8,11H,1-2,6-7H2,(H,17,21).
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide has a molecular weight of 341.20 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 71994855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).