(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide

C15H18F5NO2 — CID 51962853

IUPAC(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)Oc1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C15H18F5NO2/c1-6(2)21(7(3)4)15(22)8(5)23-14-12(19)10(17)9(16)11(18)13(14)20/h6-8H,1-5H3/t8-/m1/s1
InChIKeyCDOTVQUTWUCSKX-MRVPVSSYSA-N
MW339.30 g/mol
LogP3.79
Rot. Bonds5

About (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide

(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide (PubChem CID 51962853) has the molecular formula C15H18F5NO2 and a molecular weight of 339.30 g/mol. Its IUPAC name is (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide
PubChem CID51962853
Molecular FormulaC15H18F5NO2
Molecular Weight339.30 g/mol
Exact Mass339.13
IUPAC Name(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)Oc1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C15H18F5NO2/c1-6(2)21(7(3)4)15(22)8(5)23-14-12(19)10(17)9(16)11(18)13(14)20/h6-8H,1-5H3/t8-/m1/s1
InChIKeyCDOTVQUTWUCSKX-MRVPVSSYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide
CID 139125259
2,3,4,5,6-pentafluoro-N,N-di(propan-2-yl)benzamide
CID 4575377
1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
CID 76915183
(2,3,4,5,6-pentafluorophenyl) 2-hydroxypropanoate
CID 117051226
2,3,5-trifluoro-6-methyl-4-propan-2-yloxybenzenesulfonic acid
CID 170366954
2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide
CID 11457949
(2,3,4,5,6-pentafluorophenyl) 2-methylsulfonylacetate
CID 89156448
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 55422980
2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide
CID 155578209
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide (CID 51962853) is (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](C)Oc1c(F)c(F)c(F)c(F)c1F)C(C)C.
What is the InChIKey of (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide?
The InChIKey is CDOTVQUTWUCSKX-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H18F5NO2/c1-6(2)21(7(3)4)15(22)8(5)23-14-12(19)10(17)9(16)11(18)13(14)20/h6-8H,1-5H3/t8-/m1/s1.
What are the key properties of (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide?
(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide has a molecular weight of 339.30 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 51962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).