N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide

C16H11ClF3N5O — CID 18565687

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O/c17-10-5-7-11(8-6-10)25-14(22-23-24-25)9-21-15(26)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyFIOBGTWHKYPOQW-UHFFFAOYSA-N
MW381.75 g/mol
LogP3.26
Rot. Bonds4

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 18565687) has the molecular formula C16H11ClF3N5O and a molecular weight of 381.75 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID18565687
Molecular FormulaC16H11ClF3N5O
Molecular Weight381.75 g/mol
Exact Mass381.06
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O/c17-10-5-7-11(8-6-10)25-14(22-23-24-25)9-21-15(26)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyFIOBGTWHKYPOQW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide (CID 18565687) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is FIOBGTWHKYPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O/c17-10-5-7-11(8-6-10)25-14(22-23-24-25)9-21-15(26)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2,(H,21,26).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 381.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 18565687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).