2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C22H19BrN4O2 — CID 55852862

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C22H19BrN4O2/c23-20-7-5-17-10-21(8-6-16(17)9-20)29-13-22(28)25-11-18-3-1-2-4-19(18)12-27-15-24-14-26-27/h1-10,14-15H,11-13H2,(H,25,28)
InChIKeyNRACWOHDMKGJOC-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.94
Rot. Bonds7

About 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55852862) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55852862
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C22H19BrN4O2/c23-20-7-5-17-10-21(8-6-16(17)9-20)29-13-22(28)25-11-18-3-1-2-4-19(18)12-27-15-24-14-26-27/h1-10,14-15H,11-13H2,(H,25,28)
InChIKeyNRACWOHDMKGJOC-UHFFFAOYSA-N
XLogP3.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55619201
2-(4-bromophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907752
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55774453
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55769192
4-(4-tert-butylphenoxy)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 55619311
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55525747
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55852461

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55852862) is 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc2cc(Br)ccc2c1)NCc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is NRACWOHDMKGJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c23-20-7-5-17-10-21(8-6-16(17)9-20)29-13-22(28)25-11-18-3-1-2-4-19(18)12-27-15-24-14-26-27/h1-10,14-15H,11-13H2,(H,25,28).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 451.32 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55852862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).