N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C16H10ClF4N5O — CID 7465951

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C16H10ClF4N5O/c17-12-3-1-2-11(16(19,20)21)14(12)22-13(27)8-26-24-15(23-25-26)9-4-6-10(18)7-5-9/h1-7H,8H2,(H,22,27)
InChIKeyGWTMAGXTULUDLS-UHFFFAOYSA-N
MW399.74 g/mol
LogP3.79
Rot. Bonds4

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7465951) has the molecular formula C16H10ClF4N5O and a molecular weight of 399.74 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7465951
Molecular FormulaC16H10ClF4N5O
Molecular Weight399.74 g/mol
Exact Mass399.05
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C16H10ClF4N5O/c17-12-3-1-2-11(16(19,20)21)14(12)22-13(27)8-26-24-15(23-25-26)9-4-6-10(18)7-5-9/h1-7H,8H2,(H,22,27)
InChIKeyGWTMAGXTULUDLS-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 7465951) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is GWTMAGXTULUDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N5O/c17-12-3-1-2-11(16(19,20)21)14(12)22-13(27)8-26-24-15(23-25-26)9-4-6-10(18)7-5-9/h1-7H,8H2,(H,22,27).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 399.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).