2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

C16H21F2N5O2 — CID 47770930

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1nnnc1C(C)(C)C
InChIInChI=1S/C16H21F2N5O2/c1-16(2,3)14-19-20-21-23(14)10-13(24)22(4)9-11-5-7-12(8-6-11)25-15(17)18/h5-8,15H,9-10H2,1-4H3
InChIKeyYTFQHQZEYSDBHC-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.23
Rot. Bonds6

About 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (PubChem CID 47770930) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
PubChem CID47770930
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1nnnc1C(C)(C)C
InChIInChI=1S/C16H21F2N5O2/c1-16(2,3)14-19-20-21-23(14)10-13(24)22(4)9-11-5-7-12(8-6-11)25-15(17)18/h5-8,15H,9-10H2,1-4H3
InChIKeyYTFQHQZEYSDBHC-UHFFFAOYSA-N
XLogP2.23
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564017
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84602635
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 51140706
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 78787306
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methylacetamide
CID 47093751

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (CID 47770930) is 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1nnnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The InChIKey is YTFQHQZEYSDBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-16(2,3)14-19-20-21-23(14)10-13(24)22(4)9-11-5-7-12(8-6-11)25-15(17)18/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide has a molecular weight of 353.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 47770930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).