N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide

C13H16F3NO2 — CID 5150902

IUPACN-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCCNC(=O)c1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-2-6-17-12(18)11-5-3-4-10(7-11)8-19-9-13(14,15)16/h3-5,7H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyIUWZOPQFYMKHPL-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.91
Rot. Bonds6

About N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide

N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 5150902) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID5150902
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCCNC(=O)c1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-2-6-17-12(18)11-5-3-4-10(7-11)8-19-9-13(14,15)16/h3-5,7H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyIUWZOPQFYMKHPL-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (CID 5150902) is N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is CCCNC(=O)c1cccc(COCC(F)(F)F)c1.
What is the InChIKey of N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is IUWZOPQFYMKHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-6-17-12(18)11-5-3-4-10(7-11)8-19-9-13(14,15)16/h3-5,7H,2,6,8-9H2,1H3,(H,17,18).
What are the key properties of N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 5150902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).