N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide

C16H13FN6O2 — CID 1440018

IUPACN-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide
SMILESNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C16H13FN6O2/c17-13-4-2-1-3-12(13)16(25)19-11-7-5-10(6-8-11)15-20-22-23(21-15)9-14(18)24/h1-8H,9H2,(H2,18,24)(H,19,25)
InChIKeyOZZVVXPXOFVQNY-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.22
Rot. Bonds5

About N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide

N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide (PubChem CID 1440018) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide
PubChem CID1440018
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC NameN-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide
SMILESNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C16H13FN6O2/c17-13-4-2-1-3-12(13)16(25)19-11-7-5-10(6-8-11)15-20-22-23(21-15)9-14(18)24/h1-8H,9H2,(H2,18,24)(H,19,25)
InChIKeyOZZVVXPXOFVQNY-UHFFFAOYSA-N
XLogP1.22
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide (CID 1440018) is N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide is NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1.
What is the InChIKey of N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide?
The InChIKey is OZZVVXPXOFVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c17-13-4-2-1-3-12(13)16(25)19-11-7-5-10(6-8-11)15-20-22-23(21-15)9-14(18)24/h1-8H,9H2,(H2,18,24)(H,19,25).
What are the key properties of N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide?
N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide has a molecular weight of 340.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 1440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).