N-(benzotriazol-1-yl)-N-propylbenzamide

C16H16N4O — CID 3755309

IUPACN-(benzotriazol-1-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-12-19(16(21)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)17-18-20/h3-11H,2,12H2,1H3
InChIKeyNLKHXMPOWQMOPA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.62
Rot. Bonds4

About N-(benzotriazol-1-yl)-N-propylbenzamide

N-(benzotriazol-1-yl)-N-propylbenzamide (PubChem CID 3755309) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(benzotriazol-1-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(benzotriazol-1-yl)-N-propylbenzamide
PubChem CID3755309
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(benzotriazol-1-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-12-19(16(21)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)17-18-20/h3-11H,2,12H2,1H3
InChIKeyNLKHXMPOWQMOPA-UHFFFAOYSA-N
XLogP2.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzoyl-1H-benzotriazole
CID 570059
1-(4-Fluorobenzoyl)-1H-benzotriazole
CID 785793
N-benzyl-N-isopropyl-2,1,3-benzothiadiazole-5-carboxamide
CID 2814456
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
1-(4-Methylbenzoyl)-1H-benzotriazole
CID 827004
1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
CID 834536
[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-m-tolyl-methanone
CID 645649
1-(3-fluorobenzoyl)-1H-1,2,3-benzotriazole
CID 807814
[4-(Benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 1469544
N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide
CID 2201551
(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 5737607
3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 71456812

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-yl)-N-propylbenzamide?
The IUPAC name of N-(benzotriazol-1-yl)-N-propylbenzamide (CID 3755309) is N-(benzotriazol-1-yl)-N-propylbenzamide.
What is the SMILES notation for N-(benzotriazol-1-yl)-N-propylbenzamide?
The canonical SMILES for N-(benzotriazol-1-yl)-N-propylbenzamide is CCCN(C(=O)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-yl)-N-propylbenzamide?
The InChIKey is NLKHXMPOWQMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-12-19(16(21)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)17-18-20/h3-11H,2,12H2,1H3.
What are the key properties of N-(benzotriazol-1-yl)-N-propylbenzamide?
N-(benzotriazol-1-yl)-N-propylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-yl)-N-propylbenzamide is sourced from PubChem (CID 3755309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).