N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide

C14H12N4O2 — CID 110732136

IUPACN-(2H-benzotriazol-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc2n[nH]nc12
InChIInChI=1S/C14H12N4O2/c19-13(9-20-10-5-2-1-3-6-10)15-11-7-4-8-12-14(11)17-18-16-12/h1-8H,9H2,(H,15,19)(H,16,17,18)
InChIKeyBGXCFIJZMHUQND-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.98
Rot. Bonds4

About N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide

N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide (PubChem CID 110732136) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-2-phenoxyacetamide
PubChem CID110732136
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(2H-benzotriazol-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc2n[nH]nc12
InChIInChI=1S/C14H12N4O2/c19-13(9-20-10-5-2-1-3-6-10)15-11-7-4-8-12-14(11)17-18-16-12/h1-8H,9H2,(H,15,19)(H,16,17,18)
InChIKeyBGXCFIJZMHUQND-UHFFFAOYSA-N
XLogP1.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
CID 110470082
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 61027525
2-(2H-benzotriazol-4-ylamino)acetic acid
CID 67894224
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
2-amino-N-(2H-benzotriazol-4-yl)benzamide
CID 110474353
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
CID 24698020
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide (CID 110732136) is N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc2n[nH]nc12.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide?
The InChIKey is BGXCFIJZMHUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-13(9-20-10-5-2-1-3-6-10)15-11-7-4-8-12-14(11)17-18-16-12/h1-8H,9H2,(H,15,19)(H,16,17,18).
What are the key properties of N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide?
N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide has a molecular weight of 268.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 110732136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).