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

C11H11BrN4O — CID 3263785

IUPACN-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1ccccc1Br
InChIInChI=1S/C11H11BrN4O/c12-10-4-2-1-3-9(10)5-14-11(17)6-16-8-13-7-15-16/h1-4,7-8H,5-6H2,(H,14,17)
InChIKeyMSBQCQGANALNGI-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.36
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 3263785) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID3263785
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1ccccc1Br
InChIInChI=1S/C11H11BrN4O/c12-10-4-2-1-3-9(10)5-14-11(17)6-16-8-13-7-15-16/h1-4,7-8H,5-6H2,(H,14,17)
InChIKeyMSBQCQGANALNGI-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 3263785) is N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MSBQCQGANALNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-10-4-2-1-3-9(10)5-14-11(17)6-16-8-13-7-15-16/h1-4,7-8H,5-6H2,(H,14,17).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 295.14 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 3263785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).