2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide

C13H16F3NO2 — CID 121446750

IUPAC2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
SMILESCOC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-13(2,19-4)12(18)17(3)7-8-5-9(14)6-10(15)11(8)16/h5-6H,7H2,1-4H3
InChIKeyNDLSAHDYPDJYOP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.49
Rot. Bonds4

About 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide

2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide (PubChem CID 121446750) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
PubChem CID121446750
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
SMILESCOC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-13(2,19-4)12(18)17(3)7-8-5-9(14)6-10(15)11(8)16/h5-6H,7H2,1-4H3
InChIKeyNDLSAHDYPDJYOP-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
The IUPAC name of 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide (CID 121446750) is 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
The canonical SMILES for 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide is COC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F.
What is the InChIKey of 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
The InChIKey is NDLSAHDYPDJYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-13(2,19-4)12(18)17(3)7-8-5-9(14)6-10(15)11(8)16/h5-6H,7H2,1-4H3.
What are the key properties of 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide has a molecular weight of 275.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide is sourced from PubChem (CID 121446750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).