N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide

C11H10F3N5O — CID 84514577

IUPACN-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCN(Cc1nn[nH]n1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N5O/c1-19(6-9-15-17-18-16-9)10(20)7-2-4-8(5-3-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17,18)
InChIKeyUGVWVTOGDHFQPY-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.49
Rot. Bonds3

About N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide

N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 84514577) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID84514577
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCN(Cc1nn[nH]n1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N5O/c1-19(6-9-15-17-18-16-9)10(20)7-2-4-8(5-3-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17,18)
InChIKeyUGVWVTOGDHFQPY-UHFFFAOYSA-N
XLogP1.49
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 126799440
2-tert-butyl-N-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 146127109
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511418
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 166299405
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide (CID 84514577) is N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide is CN(Cc1nn[nH]n1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is UGVWVTOGDHFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-19(6-9-15-17-18-16-9)10(20)7-2-4-8(5-3-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17,18).
What are the key properties of N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide?
N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 285.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 84514577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).