4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide

C19H19F4NO3 — CID 55939528

IUPAC4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CCCOc1ccccc1F
InChIInChI=1S/C19H19F4NO3/c1-24(13-14-7-2-4-9-16(14)27-19(21,22)23)18(25)11-6-12-26-17-10-5-3-8-15(17)20/h2-5,7-10H,6,11-13H2,1H3
InChIKeyPHZQVVDHAGVMNJ-UHFFFAOYSA-N
MW385.36 g/mol
LogP4.54
Rot. Bonds8

About 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide

4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide (PubChem CID 55939528) has the molecular formula C19H19F4NO3 and a molecular weight of 385.36 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
PubChem CID55939528
Molecular FormulaC19H19F4NO3
Molecular Weight385.36 g/mol
Exact Mass385.13
IUPAC Name4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CCCOc1ccccc1F
InChIInChI=1S/C19H19F4NO3/c1-24(13-14-7-2-4-9-16(14)27-19(21,22)23)18(25)11-6-12-26-17-10-5-3-8-15(17)20/h2-5,7-10H,6,11-13H2,1H3
InChIKeyPHZQVVDHAGVMNJ-UHFFFAOYSA-N
XLogP4.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86822663
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38259815
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870983
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide (CID 55939528) is 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is PHZQVVDHAGVMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO3/c1-24(13-14-7-2-4-9-16(14)27-19(21,22)23)18(25)11-6-12-26-17-10-5-3-8-15(17)20/h2-5,7-10H,6,11-13H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 385.36 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 55939528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).