N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide

C17H17F2NO2 — CID 21411013

IUPACN-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide
SMILESCC(=O)NCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2/c1-12(21)20-10-11-22-17(13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyMLTLEHRTZVPIAJ-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide

N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide (PubChem CID 21411013) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide
PubChem CID21411013
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide
SMILESCC(=O)NCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2/c1-12(21)20-10-11-22-17(13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyMLTLEHRTZVPIAJ-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.21
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

3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
CID 58811248
5-[2-acetamidoethoxy-(3-chlorophenyl)methyl]-2-fluorobenzoic acid
CID 58330079
methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate
CID 146260155
N-[3-[[cyano-(4-fluorophenyl)methyl]amino]propyl]acetamide
CID 84817840
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
2-acetamidoethyl 2-(4-fluorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetate
CID 54387512
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
4-[bis(4-fluorophenyl)methoxy]butan-1-amine
CID 71092027
N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
CID 139050394
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide?
The IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide (CID 21411013) is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide is CC(=O)NCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide?
The InChIKey is MLTLEHRTZVPIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-12(21)20-10-11-22-17(13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide?
N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide has a molecular weight of 305.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide is sourced from PubChem (CID 21411013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).