2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C16H19F3N6O — CID 47069557

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nnnn1C1CC1
InChIInChI=1S/C16H19F3N6O/c1-2-24(9-14-21-22-23-25(14)11-7-8-11)10-15(26)20-13-6-4-3-5-12(13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,26)
InChIKeyIFRMTCOCUUHWPL-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.49
Rot. Bonds7

About 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 47069557) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID47069557
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nnnn1C1CC1
InChIInChI=1S/C16H19F3N6O/c1-2-24(9-14-21-22-23-25(14)11-7-8-11)10-15(26)20-13-6-4-3-5-12(13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,26)
InChIKeyIFRMTCOCUUHWPL-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 47069557) is 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nnnn1C1CC1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IFRMTCOCUUHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-2-24(9-14-21-22-23-25(14)11-7-8-11)10-15(26)20-13-6-4-3-5-12(13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,26).
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 47069557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).