2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide

C15H16F3N3O2 — CID 47054929

IUPAC2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(COCC(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C15H16F3N3O2/c1-11(21-7-6-19-10-21)14(22)20-13-4-2-12(3-5-13)8-23-9-15(16,17)18/h2-7,10-11H,8-9H2,1H3,(H,20,22)
InChIKeyFNQNZXQNDITDBR-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.16
Rot. Bonds6

About 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide

2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide (PubChem CID 47054929) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
PubChem CID47054929
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(COCC(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C15H16F3N3O2/c1-11(21-7-6-19-10-21)14(22)20-13-4-2-12(3-5-13)8-23-9-15(16,17)18/h2-7,10-11H,8-9H2,1H3,(H,20,22)
InChIKeyFNQNZXQNDITDBR-UHFFFAOYSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
CID 94441337
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
1-(4-methylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 17486584
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
methyl 2-[[(2R)-2-imidazol-1-ylpropanoyl]amino]-5-propan-2-ylbenzoate
CID 95302502
(2R)-2-imidazol-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 94068119
3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46340049
(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide
CID 96540684
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide
CID 60509216
N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
CID 174552130
6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24666420
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55881355

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide (CID 47054929) is 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(COCC(F)(F)F)cc1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide?
The InChIKey is FNQNZXQNDITDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-11(21-7-6-19-10-21)14(22)20-13-4-2-12(3-5-13)8-23-9-15(16,17)18/h2-7,10-11H,8-9H2,1H3,(H,20,22).
What are the key properties of 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide?
2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide has a molecular weight of 327.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 47054929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).