N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide

C28H22N8O2 — CID 3504481

IUPACN-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
SMILESO=C(NC(C(NC(=O)c1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C28H22N8O2/c37-27(19-11-3-1-4-12-19)29-25(35-23-17-9-7-15-21(23)31-33-35)26(30-28(38)20-13-5-2-6-14-20)36-24-18-10-8-16-22(24)32-34-36/h1-18,25-26H,(H,29,37)(H,30,38)
InChIKeyYAXFBGQFPLHLES-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.73
Rot. Bonds7

About N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide

N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide (PubChem CID 3504481) has the molecular formula C28H22N8O2 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
PubChem CID3504481
Molecular FormulaC28H22N8O2
Molecular Weight502.54 g/mol
Exact Mass502.19
IUPAC NameN-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
SMILESO=C(NC(C(NC(=O)c1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C28H22N8O2/c37-27(19-11-3-1-4-12-19)29-25(35-23-17-9-7-15-21(23)31-33-35)26(30-28(38)20-13-5-2-6-14-20)36-24-18-10-8-16-22(24)32-34-36/h1-18,25-26H,(H,29,37)(H,30,38)
InChIKeyYAXFBGQFPLHLES-UHFFFAOYSA-N
XLogP3.73
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 10530945
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-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
CID 688290
N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CID 26789621
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376
N-[1-(benzotriazol-1-yl)-2,2-dichloropropyl]-4-(trifluoromethyl)benzamide
CID 18770736
tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate
CID 3694586

Frequently Asked Questions

What is the IUPAC name of N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide (CID 3504481) is N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide is O=C(NC(C(NC(=O)c1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide?
The InChIKey is YAXFBGQFPLHLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N8O2/c37-27(19-11-3-1-4-12-19)29-25(35-23-17-9-7-15-21(23)31-33-35)26(30-28(38)20-13-5-2-6-14-20)36-24-18-10-8-16-22(24)32-34-36/h1-18,25-26H,(H,29,37)(H,30,38).
What are the key properties of N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide?
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide has a molecular weight of 502.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 3504481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).