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

C15H14N4O — CID 5121940

IUPACN-[1-(benzotriazol-1-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H14N4O/c1-11(16-15(20)12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-11H,1H3,(H,16,20)
InChIKeyHRAHNBHZMAJSSO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.38
Rot. Bonds3

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

N-[1-(benzotriazol-1-yl)ethyl]benzamide (PubChem CID 5121940) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-yl)ethyl]benzamide
PubChem CID5121940
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[1-(benzotriazol-1-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H14N4O/c1-11(16-15(20)12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-11H,1H3,(H,16,20)
InChIKeyHRAHNBHZMAJSSO-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870
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
N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CID 26789621
2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone
CID 3802973
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376
N-[1-(benzotriazol-1-yl)-2,2-dichloropropyl]-4-(trifluoromethyl)benzamide
CID 18770736

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-yl)ethyl]benzamide?
The IUPAC name of N-[1-(benzotriazol-1-yl)ethyl]benzamide (CID 5121940) is N-[1-(benzotriazol-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[1-(benzotriazol-1-yl)ethyl]benzamide?
The canonical SMILES for N-[1-(benzotriazol-1-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-yl)ethyl]benzamide?
The InChIKey is HRAHNBHZMAJSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(16-15(20)12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-11H,1H3,(H,16,20).
What are the key properties of N-[1-(benzotriazol-1-yl)ethyl]benzamide?
N-[1-(benzotriazol-1-yl)ethyl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.38, 3 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)ethyl]benzamide is sourced from PubChem (CID 5121940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).