2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C16H11ClF3N5O — CID 586784

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N5O/c17-13-7-2-1-6-12(13)15-22-24-25(23-15)9-14(26)21-11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyPPSXOQDGYUKBAI-UHFFFAOYSA-N
MW381.75 g/mol
LogP3.65
Rot. Bonds4

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 586784) has the molecular formula C16H11ClF3N5O and a molecular weight of 381.75 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID586784
Molecular FormulaC16H11ClF3N5O
Molecular Weight381.75 g/mol
Exact Mass381.06
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3N5O/c17-13-7-2-1-6-12(13)15-22-24-25(23-15)9-14(26)21-11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKeyPPSXOQDGYUKBAI-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-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372434
N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3220587
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 24982613
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7634191
N-(2-Fluoro-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 579008
Acetamide, 2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-N-(2,4-difluorophenyl)-
CID 586782
Acetamide, N-(4-bromophenyl)-2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-
CID 596748
N-(4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 709177
N-(3,4-dichlorophenyl)-2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide
CID 1260221
N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 856050
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 707594
N-(2-fluorophenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 777332

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 586784) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PPSXOQDGYUKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O/c17-13-7-2-1-6-12(13)15-22-24-25(23-15)9-14(26)21-11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2,(H,21,26).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]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 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 586784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).