N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide

C13H16F3N3O — CID 71797100

IUPACN-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C13H16F3N3O/c1-8(20)17-7-6-11-18-10-5-3-2-4-9(10)12(19-11)13(14,15)16/h2-7H2,1H3,(H,17,20)
InChIKeySDUIOMKXAIMLMI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.05
Rot. Bonds3

About N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide

N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide (PubChem CID 71797100) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide
PubChem CID71797100
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C13H16F3N3O/c1-8(20)17-7-6-11-18-10-5-3-2-4-9(10)12(19-11)13(14,15)16/h2-7H2,1H3,(H,17,20)
InChIKeySDUIOMKXAIMLMI-UHFFFAOYSA-N
XLogP2.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide (CID 71797100) is N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide?
The InChIKey is SDUIOMKXAIMLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8(20)17-7-6-11-18-10-5-3-2-4-9(10)12(19-11)13(14,15)16/h2-7H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide?
N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide has a molecular weight of 287.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]acetamide is sourced from PubChem (CID 71797100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).