N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide

C18H17F4NO2 — CID 55454553

IUPACN-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F4NO2/c19-15-6-8-16(9-7-15)25-11-2-1-10-23-17(24)13-4-3-5-14(12-13)18(20,21)22/h3-9,12H,1-2,10-11H2,(H,23,24)
InChIKeyINRVAKXVZCTFBJ-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.43
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide

N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide (PubChem CID 55454553) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
PubChem CID55454553
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F4NO2/c19-15-6-8-16(9-7-15)25-11-2-1-10-23-17(24)13-4-3-5-14(12-13)18(20,21)22/h3-9,12H,1-2,10-11H2,(H,23,24)
InChIKeyINRVAKXVZCTFBJ-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide (CID 55454553) is N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide is O=C(NCCCCOc1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide?
The InChIKey is INRVAKXVZCTFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c19-15-6-8-16(9-7-15)25-11-2-1-10-23-17(24)13-4-3-5-14(12-13)18(20,21)22/h3-9,12H,1-2,10-11H2,(H,23,24).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide?
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide has a molecular weight of 355.33 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 55454553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).