N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

C12H12F3N5O — CID 126799440

IUPACN-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N5O/c1-7(10-16-18-19-17-10)20(2)11(21)8-3-5-9(6-4-8)12(13,14)15/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyITGCFKJEGBNZNX-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 126799440) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID126799440
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC NameN-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N5O/c1-7(10-16-18-19-17-10)20(2)11(21)8-3-5-9(6-4-8)12(13,14)15/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyITGCFKJEGBNZNX-UHFFFAOYSA-N
XLogP2.05
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
CID 84514577
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 76928306
N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 169279289
2-(2H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 151075749
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151494065
3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146139841
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N,N-bis(2-chloroethyl)-4-(trifluoromethyl)benzamide
CID 98658820
5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole
CID 11566215
[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 126798262
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 126799440) is N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is CC(c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ITGCFKJEGBNZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-7(10-16-18-19-17-10)20(2)11(21)8-3-5-9(6-4-8)12(13,14)15/h3-7H,1-2H3,(H,16,17,18,19).
What are the key properties of N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 299.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 126799440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).