(2R)-2-(5-bromobenzotriazol-1-yl)butanamide

C10H11BrN4O — CID 66989111

IUPAC(2R)-2-(5-bromobenzotriazol-1-yl)butanamide
SMILESCC[C@H](C(N)=O)n1nnc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN4O/c1-2-8(10(12)16)15-9-4-3-6(11)5-7(9)13-14-15/h3-5,8H,2H2,1H3,(H2,12,16)/t8-/m1/s1
InChIKeyVPLBALPLGQNWKO-MRVPVSSYSA-N
MW283.13 g/mol
LogP1.63
Rot. Bonds3

About (2R)-2-(5-bromobenzotriazol-1-yl)butanamide

(2R)-2-(5-bromobenzotriazol-1-yl)butanamide (PubChem CID 66989111) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is (2R)-2-(5-bromobenzotriazol-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(5-bromobenzotriazol-1-yl)butanamide
PubChem CID66989111
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(2R)-2-(5-bromobenzotriazol-1-yl)butanamide
SMILESCC[C@H](C(N)=O)n1nnc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN4O/c1-2-8(10(12)16)15-9-4-3-6(11)5-7(9)13-14-15/h3-5,8H,2H2,1H3,(H2,12,16)/t8-/m1/s1
InChIKeyVPLBALPLGQNWKO-MRVPVSSYSA-N
XLogP1.63
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromobenzotriazol-1-yl)butanamide?
The IUPAC name of (2R)-2-(5-bromobenzotriazol-1-yl)butanamide (CID 66989111) is (2R)-2-(5-bromobenzotriazol-1-yl)butanamide.
What is the SMILES notation for (2R)-2-(5-bromobenzotriazol-1-yl)butanamide?
The canonical SMILES for (2R)-2-(5-bromobenzotriazol-1-yl)butanamide is CC[C@H](C(N)=O)n1nnc2cc(Br)ccc21.
What is the InChIKey of (2R)-2-(5-bromobenzotriazol-1-yl)butanamide?
The InChIKey is VPLBALPLGQNWKO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-2-8(10(12)16)15-9-4-3-6(11)5-7(9)13-14-15/h3-5,8H,2H2,1H3,(H2,12,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(5-bromobenzotriazol-1-yl)butanamide?
(2R)-2-(5-bromobenzotriazol-1-yl)butanamide has a molecular weight of 283.13 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromobenzotriazol-1-yl)butanamide is sourced from PubChem (CID 66989111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).