N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide

C13H22F2N2O — CID 114226534

IUPACN-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCCN(CC1CCCN1)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-2-17(9-11-4-3-7-16-11)12(18)10-5-6-13(14,15)8-10/h10-11,16H,2-9H2,1H3
InChIKeyBYWFLSGQXDQMTF-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide

N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 114226534) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID114226534
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCCN(CC1CCCN1)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-2-17(9-11-4-3-7-16-11)12(18)10-5-6-13(14,15)8-10/h10-11,16H,2-9H2,1H3
InChIKeyBYWFLSGQXDQMTF-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide (CID 114226534) is N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide is CCN(CC1CCCN1)C(=O)C1CCC(F)(F)C1.
What is the InChIKey of N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is BYWFLSGQXDQMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-2-17(9-11-4-3-7-16-11)12(18)10-5-6-13(14,15)8-10/h10-11,16H,2-9H2,1H3.
What are the key properties of N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 260.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoro-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114226534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).