4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

C16H19F3N6O — CID 34646019

IUPAC4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1nnnn1C1CC1
InChIInChI=1S/C16H19F3N6O/c1-24(9-14-21-22-23-25(14)13-6-7-13)8-11-2-4-12(5-3-11)15(26)20-10-16(17,18)19/h2-5,13H,6-10H2,1H3,(H,20,26)
InChIKeyMNYIYPHNGSCTMN-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.93
Rot. Bonds7

About 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 34646019) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID34646019
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1nnnn1C1CC1
InChIInChI=1S/C16H19F3N6O/c1-24(9-14-21-22-23-25(14)13-6-7-13)8-11-2-4-12(5-3-11)15(26)20-10-16(17,18)19/h2-5,13H,6-10H2,1H3,(H,20,26)
InChIKeyMNYIYPHNGSCTMN-UHFFFAOYSA-N
XLogP1.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 34646019) is 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1nnnn1C1CC1.
What is the InChIKey of 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MNYIYPHNGSCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-24(9-14-21-22-23-25(14)13-6-7-13)8-11-2-4-12(5-3-11)15(26)20-10-16(17,18)19/h2-5,13H,6-10H2,1H3,(H,20,26).
What are the key properties of 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 368.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 34646019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).