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

C17H15BrN4O2 — CID 55732144

IUPAC2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H15BrN4O2/c18-14-3-7-16(8-4-14)24-10-17(23)20-9-13-1-5-15(6-2-13)22-12-19-11-21-22/h1-8,11-12H,9-10H2,(H,20,23)
InChIKeyZDSFRPLSHJLMQI-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.72
Rot. Bonds6

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

2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 55732144) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID55732144
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H15BrN4O2/c18-14-3-7-16(8-4-14)24-10-17(23)20-9-13-1-5-15(6-2-13)22-12-19-11-21-22/h1-8,11-12H,9-10H2,(H,20,23)
InChIKeyZDSFRPLSHJLMQI-UHFFFAOYSA-N
XLogP2.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55795776
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 24514948
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922
7-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]heptanamide
CID 119866354
2-(4-propan-2-ylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298559
2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748360
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 55732144) is 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is O=C(COc1ccc(Br)cc1)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is ZDSFRPLSHJLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-14-3-7-16(8-4-14)24-10-17(23)20-9-13-1-5-15(6-2-13)22-12-19-11-21-22/h1-8,11-12H,9-10H2,(H,20,23).
What are the key properties of 2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 387.24 g/mol, XLogP of 2.72, 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-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 55732144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).