2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

C16H23F2N3O2 — CID 56815209

IUPAC2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)CN(CC(N)=O)C(C)C
InChIInChI=1S/C16H23F2N3O2/c1-10(2)21(8-15(19)22)9-16(23)20-11(3)7-12-13(17)5-4-6-14(12)18/h4-6,10-11H,7-9H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyZFOPUJLAIOXGJV-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.21
Rot. Bonds8

About 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 56815209) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID56815209
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)CN(CC(N)=O)C(C)C
InChIInChI=1S/C16H23F2N3O2/c1-10(2)21(8-15(19)22)9-16(23)20-11(3)7-12-13(17)5-4-6-14(12)18/h4-6,10-11H,7-9H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyZFOPUJLAIOXGJV-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 111858744
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760037
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87016546
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985
3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
CID 61103749
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 94413285

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 56815209) is 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is CC(Cc1c(F)cccc1F)NC(=O)CN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is ZFOPUJLAIOXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-10(2)21(8-15(19)22)9-16(23)20-11(3)7-12-13(17)5-4-6-14(12)18/h4-6,10-11H,7-9H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 56815209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).