4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide

C19H19F3N2O3 — CID 108934115

IUPAC4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)18(26)23-13-14-7-4-5-10-16(14)24-17(25)11-6-12-27-15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2,(H,23,26)(H,24,25)
InChIKeyFWENSTPRCYSTCN-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.66
Rot. Bonds8

About 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide

4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide (PubChem CID 108934115) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
PubChem CID108934115
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)18(26)23-13-14-7-4-5-10-16(14)24-17(25)11-6-12-27-15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2,(H,23,26)(H,24,25)
InChIKeyFWENSTPRCYSTCN-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4-tert-butylphenoxy)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934109
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
tert-butyl N-[3-oxo-3-[[2-(3-phenoxypropanoylamino)phenyl]methylamino]propyl]carbamate
CID 108920927
tert-butyl N-[3-oxo-3-[2-[(3-phenoxypropanoylamino)methyl]anilino]propyl]carbamate
CID 108920928
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
4-phenoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
CID 19188424
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
The IUPAC name of 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide (CID 108934115) is 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide is O=C(CCCOc1ccccc1)Nc1ccccc1CNC(=O)C(F)(F)F.
What is the InChIKey of 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
The InChIKey is FWENSTPRCYSTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)18(26)23-13-14-7-4-5-10-16(14)24-17(25)11-6-12-27-15-8-2-1-3-9-15/h1-5,7-10H,6,11-13H2,(H,23,26)(H,24,25).
What are the key properties of 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide has a molecular weight of 380.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide is sourced from PubChem (CID 108934115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).