N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide

C10H15F2N3O — CID 91312976

IUPACN-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cn(CC(F)F)cn1
InChIInChI=1S/C10H15F2N3O/c1-2-10(16)13-4-3-8-5-15(7-14-8)6-9(11)12/h5,7,9H,2-4,6H2,1H3,(H,13,16)
InChIKeyZJARMFCEDLKFQB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.22
Rot. Bonds6

About N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide

N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide (PubChem CID 91312976) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide
PubChem CID91312976
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cn(CC(F)F)cn1
InChIInChI=1S/C10H15F2N3O/c1-2-10(16)13-4-3-8-5-15(7-14-8)6-9(11)12/h5,7,9H,2-4,6H2,1H3,(H,13,16)
InChIKeyZJARMFCEDLKFQB-UHFFFAOYSA-N
XLogP1.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide (CID 91312976) is N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1cn(CC(F)F)cn1.
What is the InChIKey of N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide?
The InChIKey is ZJARMFCEDLKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-2-10(16)13-4-3-8-5-15(7-14-8)6-9(11)12/h5,7,9H,2-4,6H2,1H3,(H,13,16).
What are the key properties of N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide?
N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide has a molecular weight of 231.25 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 91312976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).