N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide

C19H19ClN4O3 — CID 18084502

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C19H19ClN4O3/c1-2-9-26-17-5-3-4-6-18(17)27-11-19(25)23-15-10-14(20)7-8-16(15)24-13-21-12-22-24/h3-8,10,12-13H,2,9,11H2,1H3,(H,23,25)
InChIKeyLFDRGNQFHPKFFL-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.73
Rot. Bonds8

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide (PubChem CID 18084502) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide
PubChem CID18084502
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C19H19ClN4O3/c1-2-9-26-17-5-3-4-6-18(17)27-11-19(25)23-15-10-14(20)7-8-16(15)24-13-21-12-22-24/h3-8,10,12-13H,2,9,11H2,1H3,(H,23,25)
InChIKeyLFDRGNQFHPKFFL-UHFFFAOYSA-N
XLogP3.73
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide (CID 18084502) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide?
The InChIKey is LFDRGNQFHPKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-2-9-26-17-5-3-4-6-18(17)27-11-19(25)23-15-10-14(20)7-8-16(15)24-13-21-12-22-24/h3-8,10,12-13H,2,9,11H2,1H3,(H,23,25).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide has a molecular weight of 386.84 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 18084502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).