N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide

C14H16F5NO3 — CID 91727190

IUPACN-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
SMILESCOc1ccc(OC)c(CC(C)NC(=O)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-7-10(22-2)4-5-11(9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21)
InChIKeyORPXLXUOXRQUSP-UHFFFAOYSA-N
MW341.28 g/mol
LogP2.95
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide

N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91727190) has the molecular formula C14H16F5NO3 and a molecular weight of 341.28 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID91727190
Molecular FormulaC14H16F5NO3
Molecular Weight341.28 g/mol
Exact Mass341.11
IUPAC NameN-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
SMILESCOc1ccc(OC)c(CC(C)NC(=O)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-7-10(22-2)4-5-11(9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21)
InChIKeyORPXLXUOXRQUSP-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
CID 82262391
N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide
CID 90952710
3-bromo-4-(2,5-dimethoxyphenyl)butanoic acid
CID 82351985
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
2,2,2-trifluoro-N-[(2R)-1-(4-formyl-2,5-dimethoxyphenyl)propan-2-yl]acetamide
CID 58838534
4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82350796
(2S)-3-(2,5-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100546355
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33101422
3-[1-(2,5-dimethoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 84751636

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide (CID 91727190) is N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide is COc1ccc(OC)c(CC(C)NC(=O)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is ORPXLXUOXRQUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-7-10(22-2)4-5-11(9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide?
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 341.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91727190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).