(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide

C16H25F2N3O — CID 95627590

IUPAC(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
SMILESC[C@@H](CC1CCCCC1)C(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C16H25F2N3O/c1-12(11-13-5-3-2-4-6-13)15(22)20-8-7-14-19-9-10-21(14)16(17)18/h9-10,12-13,16H,2-8,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyXBFJAMISGIXTCO-LBPRGKRZSA-N
MW313.39 g/mol
LogP3.54
Rot. Bonds7

About (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide

(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 95627590) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID95627590
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
SMILESC[C@@H](CC1CCCCC1)C(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C16H25F2N3O/c1-12(11-13-5-3-2-4-6-13)15(22)20-8-7-14-19-9-10-21(14)16(17)18/h9-10,12-13,16H,2-8,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyXBFJAMISGIXTCO-LBPRGKRZSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide (CID 95627590) is (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide is C[C@@H](CC1CCCCC1)C(=O)NCCc1nccn1C(F)F.
What is the InChIKey of (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is XBFJAMISGIXTCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-12(11-13-5-3-2-4-6-13)15(22)20-8-7-14-19-9-10-21(14)16(17)18/h9-10,12-13,16H,2-8,11H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide?
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 95627590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).