N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide

C15H11ClFN5O2 — CID 71791453

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11ClFN5O2/c1-24-13-7-2-9(16)8-12(13)18-15(23)14-19-21-22(20-14)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,23)
InChIKeyKNVCRRNYGLDCLF-UHFFFAOYSA-N
MW347.74 g/mol
LogP2.72
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide (PubChem CID 71791453) has the molecular formula C15H11ClFN5O2 and a molecular weight of 347.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
PubChem CID71791453
Molecular FormulaC15H11ClFN5O2
Molecular Weight347.74 g/mol
Exact Mass347.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11ClFN5O2/c1-24-13-7-2-9(16)8-12(13)18-15(23)14-19-21-22(20-14)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,23)
InChIKeyKNVCRRNYGLDCLF-UHFFFAOYSA-N
XLogP2.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
CID 71791497
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
(E)-N-(5-chloro-2-methoxyphenyl)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 8763394
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide (CID 71791453) is N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The InChIKey is KNVCRRNYGLDCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O2/c1-24-13-7-2-9(16)8-12(13)18-15(23)14-19-21-22(20-14)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide has a molecular weight of 347.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).