N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C13H17F3N2O — CID 71862020

IUPACN-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)N(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-17-7-3-6-11(17)12(19)18(9-13(14,15)16)8-10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyOFUHPLOVXZODIW-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.83
Rot. Bonds4

About N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 71862020) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID71862020
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)N(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-17-7-3-6-11(17)12(19)18(9-13(14,15)16)8-10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyOFUHPLOVXZODIW-UHFFFAOYSA-N
XLogP2.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 71862020) is N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)N(CC1CCC1)CC(F)(F)F.
What is the InChIKey of N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is OFUHPLOVXZODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-17-7-3-6-11(17)12(19)18(9-13(14,15)16)8-10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 274.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71862020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).