2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide

C17H24F2N2O2 — CID 111858744

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)CN(C)CC(O)C1CC1
InChIInChI=1S/C17H24F2N2O2/c1-11(8-13-14(18)4-3-5-15(13)19)20-17(23)10-21(2)9-16(22)12-6-7-12/h3-5,11-12,16,22H,6-10H2,1-2H3,(H,20,23)
InChIKeyRJMBCFAELIKGLP-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.71
Rot. Bonds8

About 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide (PubChem CID 111858744) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
PubChem CID111858744
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)CN(C)CC(O)C1CC1
InChIInChI=1S/C17H24F2N2O2/c1-11(8-13-14(18)4-3-5-15(13)19)20-17(23)10-21(2)9-16(22)12-6-7-12/h3-5,11-12,16,22H,6-10H2,1-2H3,(H,20,23)
InChIKeyRJMBCFAELIKGLP-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87016546
2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815209
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985
3-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572634
3-[(2R)-1-(2,6-difluorophenyl)propan-2-yl]-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572635
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 111858807
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide (CID 111858744) is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide is CC(Cc1c(F)cccc1F)NC(=O)CN(C)CC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide?
The InChIKey is RJMBCFAELIKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-11(8-13-14(18)4-3-5-15(13)19)20-17(23)10-21(2)9-16(22)12-6-7-12/h3-5,11-12,16,22H,6-10H2,1-2H3,(H,20,23).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide has a molecular weight of 326.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 111858744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).