N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide

C17H16N4O2 — CID 2201551

IUPACN-[4-(benzotriazole-1-carbonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22)
InChIKeyVUWARVVMIAAMOY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.86
Rot. Bonds4

About N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide

N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide (PubChem CID 2201551) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(benzotriazole-1-carbonyl)phenyl]butanamide
PubChem CID2201551
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[4-(benzotriazole-1-carbonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22)
InChIKeyVUWARVVMIAAMOY-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide?
The IUPAC name of N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide (CID 2201551) is N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide?
The canonical SMILES for N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide?
The InChIKey is VUWARVVMIAAMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22).
What are the key properties of N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide?
N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide has a molecular weight of 308.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 2201551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).