N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C17H24F2N2O3 — CID 111519731

IUPACN-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O3/c1-16(2,3)15(23)20-8-7-14(22)21-10-17(4,24)12-6-5-11(18)9-13(12)19/h5-6,9,24H,7-8,10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyRFWVETMTWGOZAJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.84
Rot. Bonds6

About N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 111519731) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID111519731
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC NameN-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O3/c1-16(2,3)15(23)20-8-7-14(22)21-10-17(4,24)12-6-5-11(18)9-13(12)19/h5-6,9,24H,7-8,10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyRFWVETMTWGOZAJ-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-1-[4-(2-methylamino-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 44308831
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245
2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
CID 11174765
2-hydroxy-2-phenyl-N-(3-phenylpropyl)butanamide
CID 11243450
2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
CID 11427771
N-butyl-2-hydroxy-2,2-diphenylacetamide
CID 24286581
2-hydroxy-2-phenyl-N-(2-phenylethyl)butanamide
CID 11737661
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
CID 22769471
tert-butyl N-[3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]carbamate
CID 51094281
1-[4-[2-Hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-1,4-diazepan-1-yl]ethanone
CID 53555676
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
CID 56764194
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 111519731) is N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is RFWVETMTWGOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-16(2,3)15(23)20-8-7-14(22)21-10-17(4,24)12-6-5-11(18)9-13(12)19/h5-6,9,24H,7-8,10H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 342.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111519731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).