N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C17H15FN6O2 — CID 1168126

IUPACN-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C17H15FN6O2/c1-11(25)19-12-5-4-6-13(9-12)20-16(26)10-24-22-17(21-23-24)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyKRECHRAKXRGTKF-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.08
Rot. Bonds5

About N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 1168126) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID1168126
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC NameN-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C17H15FN6O2/c1-11(25)19-12-5-4-6-13(9-12)20-16(26)10-24-22-17(21-23-24)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyKRECHRAKXRGTKF-UHFFFAOYSA-N
XLogP2.08
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
CID 1452611
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1154537
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(2-acetamidophenyl)tetrazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3192798
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 1168126) is N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is KRECHRAKXRGTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-11(25)19-12-5-4-6-13(9-12)20-16(26)10-24-22-17(21-23-24)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 354.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1168126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).