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

C13H16F3NO — CID 121446878

IUPACN,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C(C)(C)C
InChIInChI=1S/C13H16F3NO/c1-13(2,3)12(18)17(4)7-8-5-9(14)6-10(15)11(8)16/h5-6H,7H2,1-4H3
InChIKeyUCVOTGOLWUYQTI-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.11
Rot. Bonds2

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

N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide (PubChem CID 121446878) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
PubChem CID121446878
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C(C)(C)C
InChIInChI=1S/C13H16F3NO/c1-13(2,3)12(18)17(4)7-8-5-9(14)6-10(15)11(8)16/h5-6H,7H2,1-4H3
InChIKeyUCVOTGOLWUYQTI-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-methyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 131997492
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide
CID 115175159
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165774
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
methane;N-methoxy-N-methyl-2-(2,3,5-trifluorophenyl)acetamide;1-(2,3,5-trifluorophenyl)propan-2-one
CID 157217535
N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151954
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide (CID 121446878) is N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide is CN(Cc1cc(F)cc(F)c1F)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
The InChIKey is UCVOTGOLWUYQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-13(2,3)12(18)17(4)7-8-5-9(14)6-10(15)11(8)16/h5-6H,7H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide?
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide has a molecular weight of 259.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide is sourced from PubChem (CID 121446878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).