N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide

C14H24F2N2O — CID 11572624

IUPACN-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H24F2N2O/c1-2-9-18-10-3-4-12(18)13(19)17-11-5-7-14(15,16)8-6-11/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeyHJDRJGUHPHBODY-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.55
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide

N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide (PubChem CID 11572624) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
PubChem CID11572624
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC NameN-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H24F2N2O/c1-2-9-18-10-3-4-12(18)13(19)17-11-5-7-14(15,16)8-6-11/h11-12H,2-10H2,1H3,(H,17,19)
InChIKeyHJDRJGUHPHBODY-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide (CID 11572624) is N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide?
The InChIKey is HJDRJGUHPHBODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-2-9-18-10-3-4-12(18)13(19)17-11-5-7-14(15,16)8-6-11/h11-12H,2-10H2,1H3,(H,17,19).
What are the key properties of N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide?
N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11572624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).