N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide

C14H18F3NO — CID 176738854

IUPACN-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCN(C(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-5-18(12(19)13(2,3)4)11-8-6-10(7-9-11)14(15,16)17/h6-9H,5H2,1-4H3
InChIKeyFWNMFZFSNRWDIY-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.10
Rot. Bonds2

About N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide

N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 176738854) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID176738854
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCN(C(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-5-18(12(19)13(2,3)4)11-8-6-10(7-9-11)14(15,16)17/h6-9H,5H2,1-4H3
InChIKeyFWNMFZFSNRWDIY-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 10758591
1-(chloromethyl)-3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]urea
CID 21398150
N-[2-chloro-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123163392
(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 124872005
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea
CID 11646151
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)-2-methylpropanamide
CID 55121871
5-cyano-N-ethyl-6-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 100745968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 176738854) is N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide is CCN(C(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FWNMFZFSNRWDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-5-18(12(19)13(2,3)4)11-8-6-10(7-9-11)14(15,16)17/h6-9H,5H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 273.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 176738854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).