3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide

C28H27FN2O2 — CID 42213619

IUPAC3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
SMILESCN(Cc1ccc(OCCNC(=O)c2cccc(F)c2)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H27FN2O2/c1-31(20-24-9-4-7-22-6-2-3-11-27(22)24)19-21-12-14-26(15-13-21)33-17-16-30-28(32)23-8-5-10-25(29)18-23/h2-15,18H,16-17,19-20H2,1H3,(H,30,32)
InChIKeyZVPYWWMXWPRQQU-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.42
Rot. Bonds9

About 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide

3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide (PubChem CID 42213619) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
PubChem CID42213619
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC Name3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
SMILESCN(Cc1ccc(OCCNC(=O)c2cccc(F)c2)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H27FN2O2/c1-31(20-24-9-4-7-22-6-2-3-11-27(22)24)19-21-12-14-26(15-13-21)33-17-16-30-28(32)23-8-5-10-25(29)18-23/h2-15,18H,16-17,19-20H2,1H3,(H,30,32)
InChIKeyZVPYWWMXWPRQQU-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 26339767
(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 125178920
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509329
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide
CID 133203833
N-[2-(4-propylphenoxy)ethyl]naphthalene-1-carboxamide
CID 2297093
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide (CID 42213619) is 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide is CN(Cc1ccc(OCCNC(=O)c2cccc(F)c2)cc1)Cc1cccc2ccccc12.
What is the InChIKey of 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
The InChIKey is ZVPYWWMXWPRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O2/c1-31(20-24-9-4-7-22-6-2-3-11-27(22)24)19-21-12-14-26(15-13-21)33-17-16-30-28(32)23-8-5-10-25(29)18-23/h2-15,18H,16-17,19-20H2,1H3,(H,30,32).
What are the key properties of 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide has a molecular weight of 442.53 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide is sourced from PubChem (CID 42213619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).