2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide

C18H17BrN4O2 — CID 31917587

IUPAC2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H17BrN4O2/c1-2-23-12-20-22-18(23)13-4-3-5-15(10-13)21-17(24)11-25-16-8-6-14(19)7-9-16/h3-10,12H,2,11H2,1H3,(H,21,24)
InChIKeyXDJZMHABPOHVNB-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide

2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 31917587) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID31917587
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H17BrN4O2/c1-2-23-12-20-22-18(23)13-4-3-5-15(10-13)21-17(24)11-25-16-8-6-14(19)7-9-16/h3-10,12H,2,11H2,1H3,(H,21,24)
InChIKeyXDJZMHABPOHVNB-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 32581166
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 32582204
3-bromo-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 78875761
2-(4-bromophenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17358376
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
CID 32572851
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1371979
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide (CID 31917587) is 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide is CCn1cnnc1-c1cccc(NC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is XDJZMHABPOHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-2-23-12-20-22-18(23)13-4-3-5-15(10-13)21-17(24)11-25-16-8-6-14(19)7-9-16/h3-10,12H,2,11H2,1H3,(H,21,24).
What are the key properties of 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 401.26 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 31917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).