N-[1-(benzotriazol-1-yl)propyl]benzamide

C16H16N4O — CID 3733737

IUPACN-[1-(benzotriazol-1-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-15(17-16(21)12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)18-19-20/h3-11,15H,2H2,1H3,(H,17,21)
InChIKeyRXAGWWFHBRZJOU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(benzotriazol-1-yl)propyl]benzamide

N-[1-(benzotriazol-1-yl)propyl]benzamide (PubChem CID 3733737) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-yl)propyl]benzamide
PubChem CID3733737
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[1-(benzotriazol-1-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-15(17-16(21)12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)18-19-20/h3-11,15H,2H2,1H3,(H,17,21)
InChIKeyRXAGWWFHBRZJOU-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CID 26789621
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
1-(benzotriazol-1-yl)propyl benzoate
CID 3780036
N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 10530945
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
CID 688290
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-yl)propyl]benzamide?
The IUPAC name of N-[1-(benzotriazol-1-yl)propyl]benzamide (CID 3733737) is N-[1-(benzotriazol-1-yl)propyl]benzamide.
What is the SMILES notation for N-[1-(benzotriazol-1-yl)propyl]benzamide?
The canonical SMILES for N-[1-(benzotriazol-1-yl)propyl]benzamide is CCC(NC(=O)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-yl)propyl]benzamide?
The InChIKey is RXAGWWFHBRZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-15(17-16(21)12-8-4-3-5-9-12)20-14-11-7-6-10-13(14)18-19-20/h3-11,15H,2H2,1H3,(H,17,21).
What are the key properties of N-[1-(benzotriazol-1-yl)propyl]benzamide?
N-[1-(benzotriazol-1-yl)propyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-yl)propyl]benzamide is sourced from PubChem (CID 3733737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).