N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C18H16F3N5O — CID 4796992

IUPACN-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1
InChIInChI=1S/C18H16F3N5O/c1-11-6-7-15(12(2)8-11)22-16(27)10-26-24-17(23-25-26)13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,27)
InChIKeyLDZWFJGFYNNBOJ-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.61
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 4796992) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID4796992
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1
InChIInChI=1S/C18H16F3N5O/c1-11-6-7-15(12(2)8-11)22-16(27)10-26-24-17(23-25-26)13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,27)
InChIKeyLDZWFJGFYNNBOJ-UHFFFAOYSA-N
XLogP3.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408832
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 38907660
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
N-(2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 3420474
N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 43058370
methyl 3-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2745013
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 9408803
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 31184494

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 4796992) is N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is LDZWFJGFYNNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-11-6-7-15(12(2)8-11)22-16(27)10-26-24-17(23-25-26)13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 4796992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).