N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide

C18H12FN7O2 — CID 122303073

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H12FN7O2/c19-15-6-1-2-7-16(15)28-18-20-9-13(10-21-18)23-17(27)12-4-3-5-14(8-12)26-11-22-24-25-26/h1-11H,(H,23,27)
InChIKeyGEQRJSZAFFDJTP-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 122303073) has the molecular formula C18H12FN7O2 and a molecular weight of 377.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID122303073
Molecular FormulaC18H12FN7O2
Molecular Weight377.34 g/mol
Exact Mass377.10
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H12FN7O2/c19-15-6-1-2-7-16(15)28-18-20-9-13(10-21-18)23-17(27)12-4-3-5-14(8-12)26-11-22-24-25-26/h1-11H,(H,23,27)
InChIKeyGEQRJSZAFFDJTP-UHFFFAOYSA-N
XLogP2.64
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide (CID 122303073) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide is O=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is GEQRJSZAFFDJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7O2/c19-15-6-1-2-7-16(15)28-18-20-9-13(10-21-18)23-17(27)12-4-3-5-14(8-12)26-11-22-24-25-26/h1-11H,(H,23,27).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 377.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122303073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).