1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

C19H25F3N2O — CID 142115840

IUPAC1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCCNC1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)(C2CC2)C1
InChIInChI=1S/C19H25F3N2O/c1-2-23-16-8-9-18(11-16,14-6-7-14)17(25)24-12-13-4-3-5-15(10-13)19(20,21)22/h3-5,10,14,16,23H,2,6-9,11-12H2,1H3,(H,24,25)
InChIKeyGAQTUQLYBAFLQU-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.88
Rot. Bonds6

About 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 142115840) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID142115840
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCCNC1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)(C2CC2)C1
InChIInChI=1S/C19H25F3N2O/c1-2-23-16-8-9-18(11-16,14-6-7-14)17(25)24-12-13-4-3-5-15(10-13)19(20,21)22/h3-5,10,14,16,23H,2,6-9,11-12H2,1H3,(H,24,25)
InChIKeyGAQTUQLYBAFLQU-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 142115840) is 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is CCNC1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is GAQTUQLYBAFLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-2-23-16-8-9-18(11-16,14-6-7-14)17(25)24-12-13-4-3-5-15(10-13)19(20,21)22/h3-5,10,14,16,23H,2,6-9,11-12H2,1H3,(H,24,25).
What are the key properties of 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 142115840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).