N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide

C17H17N5O2 — CID 862923

IUPACN-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCn2nnc3ccccc32)cc1
InChIInChI=1S/C17H17N5O2/c1-12(23)18-13-6-8-14(9-7-13)19-17(24)10-11-22-16-5-3-2-4-15(16)20-21-22/h2-9H,10-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyNRIXHMHXPDVJSS-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.42
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide

N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide (PubChem CID 862923) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide
PubChem CID862923
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCn2nnc3ccccc32)cc1
InChIInChI=1S/C17H17N5O2/c1-12(23)18-13-6-8-14(9-7-13)19-17(24)10-11-22-16-5-3-2-4-15(16)20-21-22/h2-9H,10-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyNRIXHMHXPDVJSS-UHFFFAOYSA-N
XLogP2.42
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Benzotriazol-1-yl)propanehydrazide
CID 949773
N-[2-(4-Fluoro-phenyl)-2H-benzotriazol-5-yl]-isobutyramide
CID 737745
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
N'-acetyl-3-(benzotriazol-1-yl)propanehydrazide
CID 863091
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
2-(1H-1,2,3-benzotriazol-1-yl)acetohydrazide
CID 3859328
2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
CID 648490
N-Cyclopropyl-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 652281
3-Benzotriazol-1-yl-1-(4-phenyl-piperazin-1-yl)-propan-1-one
CID 653134
2-benzotriazolyl-N-benzylacetamide
CID 733623
2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-methylphenyl)acetamide
CID 863036
3-(benzotriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 863078

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide (CID 862923) is N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCn2nnc3ccccc32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide?
The InChIKey is NRIXHMHXPDVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(23)18-13-6-8-14(9-7-13)19-17(24)10-11-22-16-5-3-2-4-15(16)20-21-22/h2-9H,10-11H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide?
N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(benzotriazol-1-yl)propanamide is sourced from PubChem (CID 862923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).