N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide

C19H25F3N2O — CID 162537189

IUPACN-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCCN(CC)CCNC(=O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2
InChIInChI=1S/C19H25F3N2O/c1-3-24(4-2)10-9-23-16(25)18-11-17(12-18,13-18)14-5-7-15(8-6-14)19(20,21)22/h5-8H,3-4,9-13H2,1-2H3,(H,23,25)
InChIKeyZLDCEMNWNJVSQP-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162537189) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID162537189
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCCN(CC)CCNC(=O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2
InChIInChI=1S/C19H25F3N2O/c1-3-24(4-2)10-9-23-16(25)18-11-17(12-18,13-18)14-5-7-15(8-6-14)19(20,21)22/h5-8H,3-4,9-13H2,1-2H3,(H,23,25)
InChIKeyZLDCEMNWNJVSQP-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 162537189) is N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide is CCN(CC)CCNC(=O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is ZLDCEMNWNJVSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-3-24(4-2)10-9-23-16(25)18-11-17(12-18,13-18)14-5-7-15(8-6-14)19(20,21)22/h5-8H,3-4,9-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 162537189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).