N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide

C17H15F3N6O — CID 55642801

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N6O/c1-25(2)12-6-7-15(14(9-12)17(18,19)20)22-16(27)11-4-3-5-13(8-11)26-10-21-23-24-26/h3-10H,1-2H3,(H,22,27)
InChIKeyUKNMJPCQKVSIND-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.00
Rot. Bonds4

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 55642801) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID55642801
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N6O/c1-25(2)12-6-7-15(14(9-12)17(18,19)20)22-16(27)11-4-3-5-13(8-11)26-10-21-23-24-26/h3-10H,1-2H3,(H,22,27)
InChIKeyUKNMJPCQKVSIND-UHFFFAOYSA-N
XLogP3.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
3-(benzenesulfonylmethyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]benzamide
CID 55777894
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122296448
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide (CID 55642801) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide is CN(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is UKNMJPCQKVSIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-25(2)12-6-7-15(14(9-12)17(18,19)20)22-16(27)11-4-3-5-13(8-11)26-10-21-23-24-26/h3-10H,1-2H3,(H,22,27).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55642801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).