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

C17H22F3NO2 — CID 1223091

IUPACN-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)12-23-11-13-6-5-7-14(10-13)16(22)21-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-12H2,(H,21,22)
InChIKeyFQECYODDXMQVMR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.22
Rot. Bonds5

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

N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 1223091) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID1223091
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)12-23-11-13-6-5-7-14(10-13)16(22)21-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-12H2,(H,21,22)
InChIKeyFQECYODDXMQVMR-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (CID 1223091) is N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NC1CCCCCC1)c1cccc(COCC(F)(F)F)c1.
What is the InChIKey of N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is FQECYODDXMQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)12-23-11-13-6-5-7-14(10-13)16(22)21-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-12H2,(H,21,22).
What are the key properties of N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 1223091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).