2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide

C19H20F3NO2 — CID 134102861

IUPAC2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1cc(C)cc(C(C)(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO2/c1-12-9-13(2)11-14(10-12)18(3,4)17(24)23-15-5-7-16(8-6-15)25-19(20,21)22/h5-11H,1-4H3,(H,23,24)
InChIKeyDSGYIBFQHGSCRA-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.12
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 134102861) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID134102861
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1cc(C)cc(C(C)(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO2/c1-12-9-13(2)11-14(10-12)18(3,4)17(24)23-15-5-7-16(8-6-15)25-19(20,21)22/h5-11H,1-4H3,(H,23,24)
InChIKeyDSGYIBFQHGSCRA-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3,5-dimethylbenzoate
CID 8012367
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
CID 17314078
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
1-(2-chloro-4-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 53489249
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 134102861) is 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1cc(C)cc(C(C)(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is DSGYIBFQHGSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-12-9-13(2)11-14(10-12)18(3,4)17(24)23-15-5-7-16(8-6-15)25-19(20,21)22/h5-11H,1-4H3,(H,23,24).
What are the key properties of 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 134102861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).