N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C21H23F3N6O — CID 52763841

IUPACN-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H23F3N6O/c1-28(2)11-12-29(14-17-3-7-18(8-4-17)21(22,23)24)20(31)13-16-5-9-19(10-6-16)30-15-25-26-27-30/h3-10,15H,11-14H2,1-2H3
InChIKeyYJSAVJANJHJBAN-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.81
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 52763841) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID52763841
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H23F3N6O/c1-28(2)11-12-29(14-17-3-7-18(8-4-17)21(22,23)24)20(31)13-16-5-9-19(10-6-16)30-15-25-26-27-30/h3-10,15H,11-14H2,1-2H3
InChIKeyYJSAVJANJHJBAN-UHFFFAOYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 120873187
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide
CID 44524050
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71847721
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
2-[4-[[2-(dimethylamino)ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 86846972

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 52763841) is N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is YJSAVJANJHJBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-28(2)11-12-29(14-17-3-7-18(8-4-17)21(22,23)24)20(31)13-16-5-9-19(10-6-16)30-15-25-26-27-30/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 432.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 52763841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).