3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C11H10BrClN4O — CID 113345383

IUPAC3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1cnc(CNC(=O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C11H10BrClN4O/c1-17-6-15-10(16-17)5-14-11(18)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,18)
InChIKeySZKUVPZBNGLTJC-UHFFFAOYSA-N
MW329.59 g/mol
LogP2.16
Rot. Bonds3

About 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide

3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 113345383) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID113345383
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1cnc(CNC(=O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C11H10BrClN4O/c1-17-6-15-10(16-17)5-14-11(18)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,18)
InChIKeySZKUVPZBNGLTJC-UHFFFAOYSA-N
XLogP2.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 113345383) is 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cn1cnc(CNC(=O)c2cc(Cl)cc(Br)c2)n1.
What is the InChIKey of 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is SZKUVPZBNGLTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-17-6-15-10(16-17)5-14-11(18)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,18).
What are the key properties of 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 329.59 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 113345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).