(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide

C28H26FNO3 — CID 94016431

IUPAC(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C28H26FNO3/c1-2-26(33-27-9-5-7-22-6-3-4-8-25(22)27)28(31)30-18-20-12-16-24(17-13-20)32-19-21-10-14-23(29)15-11-21/h3-17,26H,2,18-19H2,1H3,(H,30,31)/t26-/m1/s1
InChIKeyRHPFMCKNRBJZBD-AREMUKBSSA-N
MW443.52 g/mol
LogP6.03
Rot. Bonds9

About (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide

(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 94016431) has the molecular formula C28H26FNO3 and a molecular weight of 443.52 g/mol. Its IUPAC name is (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
PubChem CID94016431
Molecular FormulaC28H26FNO3
Molecular Weight443.52 g/mol
Exact Mass443.19
IUPAC Name(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C28H26FNO3/c1-2-26(33-27-9-5-7-22-6-3-4-8-25(22)27)28(31)30-18-20-12-16-24(17-13-20)32-19-21-10-14-23(29)15-11-21/h3-17,26H,2,18-19H2,1H3,(H,30,31)/t26-/m1/s1
InChIKeyRHPFMCKNRBJZBD-AREMUKBSSA-N
XLogP6.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide (CID 94016431) is (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is RHPFMCKNRBJZBD-AREMUKBSSA-N. The full InChI is InChI=1S/C28H26FNO3/c1-2-26(33-27-9-5-7-22-6-3-4-8-25(22)27)28(31)30-18-20-12-16-24(17-13-20)32-19-21-10-14-23(29)15-11-21/h3-17,26H,2,18-19H2,1H3,(H,30,31)/t26-/m1/s1.
What are the key properties of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide?
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 443.52 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 94016431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).