N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide

C19H18F3N5O — CID 146734891

IUPACN-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N5O/c1-13(28)23-10-11-27-25-18(24-26-27)17-5-3-2-4-15(17)12-14-6-8-16(9-7-14)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,28)
InChIKeyRIYYMDWOPADOCR-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide

N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide (PubChem CID 146734891) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide
PubChem CID146734891
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N5O/c1-13(28)23-10-11-27-25-18(24-26-27)17-5-3-2-4-15(17)12-14-6-8-16(9-7-14)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,28)
InChIKeyRIYYMDWOPADOCR-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
CID 158381907
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]thietan-3-ol
CID 159174513
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine
CID 161232525
4-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]piperidin-4-ol
CID 158071686
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline;N-[2-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 158563763
1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096104
1-tert-butyl-3-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]urea
CID 135372245
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096103
[1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]azetidin-3-yl] methanesulfonate
CID 158194272
2-[2-[2-(methylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372658
N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine
CID 158604721
N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
CID 8598069

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide (CID 146734891) is N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide is CC(=O)NCCn1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide?
The InChIKey is RIYYMDWOPADOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-13(28)23-10-11-27-25-18(24-26-27)17-5-3-2-4-15(17)12-14-6-8-16(9-7-14)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,28).
What are the key properties of N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide?
N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 146734891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).