N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide

C17H20F3NO2 — CID 135218919

IUPACN-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H]1C[C@H](N(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)CCO1
InChIInChI=1S/C17H20F3NO2/c1-11-9-15(7-8-23-11)21(14-5-6-14)16(22)12-3-2-4-13(10-12)17(18,19)20/h2-4,10-11,14-15H,5-9H2,1H3/t11-,15-/m1/s1
InChIKeyOPQVTQWIWVONHZ-IAQYHMDHSA-N
MW327.35 g/mol
LogP3.88
Rot. Bonds3

About N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide

N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 135218919) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID135218919
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC NameN-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@@H]1C[C@H](N(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)CCO1
InChIInChI=1S/C17H20F3NO2/c1-11-9-15(7-8-23-11)21(14-5-6-14)16(22)12-3-2-4-13(10-12)17(18,19)20/h2-4,10-11,14-15H,5-9H2,1H3/t11-,15-/m1/s1
InChIKeyOPQVTQWIWVONHZ-IAQYHMDHSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide (CID 135218919) is N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide is C[C@@H]1C[C@H](N(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)CCO1.
What is the InChIKey of N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OPQVTQWIWVONHZ-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-11-9-15(7-8-23-11)21(14-5-6-14)16(22)12-3-2-4-13(10-12)17(18,19)20/h2-4,10-11,14-15H,5-9H2,1H3/t11-,15-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide?
N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 327.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R,4R)-2-methyloxan-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 135218919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).