4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C16H20F3NO3 — CID 97051798

IUPAC4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)cc1
InChIInChI=1S/C16H20F3NO3/c1-22-9-12-4-6-13(7-5-12)15(21)20(11-16(17,18)19)14-3-2-8-23-10-14/h4-7,14H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyQZDPDWOFCHJMJP-CQSZACIVSA-N
MW331.33 g/mol
LogP3.02
Rot. Bonds5

About 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 97051798) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID97051798
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)cc1
InChIInChI=1S/C16H20F3NO3/c1-22-9-12-4-6-13(7-5-12)15(21)20(11-16(17,18)19)14-3-2-8-23-10-14/h4-7,14H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyQZDPDWOFCHJMJP-CQSZACIVSA-N
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 97051798) is 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is COCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QZDPDWOFCHJMJP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-22-9-12-4-6-13(7-5-12)15(21)20(11-16(17,18)19)14-3-2-8-23-10-14/h4-7,14H,2-3,8-11H2,1H3/t14-/m1/s1.
What are the key properties of 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 331.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 97051798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).