2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide

C15H25F2NO4 — CID 124742501

IUPAC2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide
SMILESC[C@@H](CNC(=O)C(F)(F)C1(O)CCCC1)CC1(C)OCCO1
InChIInChI=1S/C15H25F2NO4/c1-11(9-13(2)21-7-8-22-13)10-18-12(19)15(16,17)14(20)5-3-4-6-14/h11,20H,3-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyXZDRBIMVHHPCCQ-LLVKDONJSA-N
MW321.36 g/mol
LogP1.83
Rot. Bonds6

About 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide

2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide (PubChem CID 124742501) has the molecular formula C15H25F2NO4 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide
PubChem CID124742501
Molecular FormulaC15H25F2NO4
Molecular Weight321.36 g/mol
Exact Mass321.18
IUPAC Name2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide
SMILESC[C@@H](CNC(=O)C(F)(F)C1(O)CCCC1)CC1(C)OCCO1
InChIInChI=1S/C15H25F2NO4/c1-11(9-13(2)21-7-8-22-13)10-18-12(19)15(16,17)14(20)5-3-4-6-14/h11,20H,3-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyXZDRBIMVHHPCCQ-LLVKDONJSA-N
XLogP1.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122006329
1-[(1S,2S)-2-methylcyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97091703
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 97250401
1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
CID 71864463
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 71920093
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
CID 71986188
1-methyl-3-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 97224609
methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
CID 131065671
methyl (E)-4-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]but-2-enoate
CID 166316980
2,2-difluoro-N-[2-(2-fluorophenoxy)butyl]-2-(1-hydroxycyclobutyl)acetamide
CID 75387966
(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 97094670
1-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97320658

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide (CID 124742501) is 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide is C[C@@H](CNC(=O)C(F)(F)C1(O)CCCC1)CC1(C)OCCO1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide?
The InChIKey is XZDRBIMVHHPCCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25F2NO4/c1-11(9-13(2)21-7-8-22-13)10-18-12(19)15(16,17)14(20)5-3-4-6-14/h11,20H,3-10H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide has a molecular weight of 321.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide is sourced from PubChem (CID 124742501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).