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

C20H22F3N3O2 — CID 71797119

IUPAC2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C20H22F3N3O2/c1-2-28-16-10-6-4-8-14(16)19(27)24-12-11-17-25-15-9-5-3-7-13(15)18(26-17)20(21,22)23/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,24,27)
InChIKeyYDNSLEFAYRHBCF-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.75
Rot. Bonds6

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

2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide (PubChem CID 71797119) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
PubChem CID71797119
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C20H22F3N3O2/c1-2-28-16-10-6-4-8-14(16)19(27)24-12-11-17-25-15-9-5-3-7-13(15)18(26-17)20(21,22)23/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,24,27)
InChIKeyYDNSLEFAYRHBCF-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide (CID 71797119) is 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
The InChIKey is YDNSLEFAYRHBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-28-16-10-6-4-8-14(16)19(27)24-12-11-17-25-15-9-5-3-7-13(15)18(26-17)20(21,22)23/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,24,27).
What are the key properties of 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide has a molecular weight of 393.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 71797119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).