N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H9ClF3N5O — CID 71978533

IUPACN-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnnn1)N(CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H9ClF3N5O/c12-8-2-1-3-9(4-8)20(6-11(13,14)15)10(21)5-19-7-16-17-18-19/h1-4,7H,5-6H2
InChIKeyDOHLCIZZSPYOCH-UHFFFAOYSA-N
MW319.67 g/mol
LogP1.92
Rot. Bonds4

About N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71978533) has the molecular formula C11H9ClF3N5O and a molecular weight of 319.67 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71978533
Molecular FormulaC11H9ClF3N5O
Molecular Weight319.67 g/mol
Exact Mass319.04
IUPAC NameN-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnnn1)N(CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C11H9ClF3N5O/c12-8-2-1-3-9(4-8)20(6-11(13,14)15)10(21)5-19-7-16-17-18-19/h1-4,7H,5-6H2
InChIKeyDOHLCIZZSPYOCH-UHFFFAOYSA-N
XLogP1.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71978533) is N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnnn1)N(CC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DOHLCIZZSPYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O/c12-8-2-1-3-9(4-8)20(6-11(13,14)15)10(21)5-19-7-16-17-18-19/h1-4,7H,5-6H2.
What are the key properties of N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 319.67 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71978533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).