2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C15H11F3N6O — CID 4826842

IUPAC2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H11F3N6O/c16-10-6-7-11(14(18)13(10)17)20-12(25)8-19-15-21-22-23-24(15)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,25)(H,19,21,23)
InChIKeyQJIZVJQKTCKINN-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.13
Rot. Bonds5

About 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4826842) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4826842
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H11F3N6O/c16-10-6-7-11(14(18)13(10)17)20-12(25)8-19-15-21-22-23-24(15)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,25)(H,19,21,23)
InChIKeyQJIZVJQKTCKINN-UHFFFAOYSA-N
XLogP2.13
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 4826842) is 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QJIZVJQKTCKINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-10-6-7-11(14(18)13(10)17)20-12(25)8-19-15-21-22-23-24(15)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,25)(H,19,21,23).
What are the key properties of 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 348.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4826842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).