N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide

C16H11ClF3N5O — CID 16508170

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O/c17-11-6-7-13(12(8-11)16(18,19)20)21-14(26)9-25-23-15(22-24-25)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)
InChIKeyUXXNWZNTXDRGEC-UHFFFAOYSA-N
MW381.75 g/mol
LogP3.65
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16508170) has the molecular formula C16H11ClF3N5O and a molecular weight of 381.75 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16508170
Molecular FormulaC16H11ClF3N5O
Molecular Weight381.75 g/mol
Exact Mass381.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O/c17-11-6-7-13(12(8-11)16(18,19)20)21-14(26)9-25-23-15(22-24-25)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)
InChIKeyUXXNWZNTXDRGEC-UHFFFAOYSA-N
XLogP3.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 110690000
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4775242
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 16508170) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is UXXNWZNTXDRGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O/c17-11-6-7-13(12(8-11)16(18,19)20)21-14(26)9-25-23-15(22-24-25)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 381.75 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16508170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).