N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide

C9H13F2N3O2 — CID 103769934

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCC(O)C(F)F
InChIInChI=1S/C9H13F2N3O2/c10-9(11)7(15)5-13-8(16)1-3-14-4-2-12-6-14/h2,4,6-7,9,15H,1,3,5H2,(H,13,16)
InChIKeyHDXGOQACOFTDOT-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.02
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide (PubChem CID 103769934) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide
PubChem CID103769934
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCC(O)C(F)F
InChIInChI=1S/C9H13F2N3O2/c10-9(11)7(15)5-13-8(16)1-3-14-4-2-12-6-14/h2,4,6-7,9,15H,1,3,5H2,(H,13,16)
InChIKeyHDXGOQACOFTDOT-UHFFFAOYSA-N
XLogP0.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide (CID 103769934) is N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide?
The InChIKey is HDXGOQACOFTDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c10-9(11)7(15)5-13-8(16)1-3-14-4-2-12-6-14/h2,4,6-7,9,15H,1,3,5H2,(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide has a molecular weight of 233.22 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 103769934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).