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

C16H13F3N6O3 — CID 2103853

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)NCc1ccco1
InChIInChI=1S/C16H13F3N6O3/c17-16(18,19)11-4-1-3-10(7-11)14-22-24-25(23-14)9-13(26)21-15(27)20-8-12-5-2-6-28-12/h1-7H,8-9H2,(H2,20,21,26,27)
InChIKeyWYYJFVYZXATIJY-UHFFFAOYSA-N
MW394.31 g/mol
LogP1.98
Rot. Bonds5

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

N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 2103853) has the molecular formula C16H13F3N6O3 and a molecular weight of 394.31 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID2103853
Molecular FormulaC16H13F3N6O3
Molecular Weight394.31 g/mol
Exact Mass394.10
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)NCc1ccco1
InChIInChI=1S/C16H13F3N6O3/c17-16(18,19)11-4-1-3-10(7-11)14-22-24-25(23-14)9-13(26)21-15(27)20-8-12-5-2-6-28-12/h1-7H,8-9H2,(H2,20,21,26,27)
InChIKeyWYYJFVYZXATIJY-UHFFFAOYSA-N
XLogP1.98
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 863227
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 3178683
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide
CID 3180044
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 718601
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 162722707
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-p-tolyl-tetrazol-2-yl)-acetyl]-amino}-butyramide
CID 645382
N-(2-furylmethyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 2939128
N-Cyclopentylcarbamoylmethyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 654117
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 1153864
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 3179329

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 2103853) is N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is WYYJFVYZXATIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O3/c17-16(18,19)11-4-1-3-10(7-11)14-22-24-25(23-14)9-13(26)21-15(27)20-8-12-5-2-6-28-12/h1-7H,8-9H2,(H2,20,21,26,27).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 394.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 2103853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).