2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide

C12H14F3NO2 — CID 60725225

IUPAC2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyMHWBIMGQQUMZPI-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.57
Rot. Bonds2

About 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide

2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 60725225) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID60725225
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyMHWBIMGQQUMZPI-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 60725225) is 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is MHWBIMGQQUMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,3)10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide?
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 261.24 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 60725225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).