(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide

C21H20FNO2 — CID 92674999

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H20FNO2/c1-2-19(21(24)23-14-15-10-12-17(22)13-11-15)25-20-9-5-7-16-6-3-4-8-18(16)20/h3-13,19H,2,14H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyYPANJTFNNFHCCK-IBGZPJMESA-N
MW337.39 g/mol
LogP4.45
Rot. Bonds6

About (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 92674999) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
PubChem CID92674999
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H20FNO2/c1-2-19(21(24)23-14-15-10-12-17(22)13-11-15)25-20-9-5-7-16-6-3-4-8-18(16)20/h3-13,19H,2,14H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyYPANJTFNNFHCCK-IBGZPJMESA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
CID 94016431
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
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
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015221
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide (CID 92674999) is (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide is CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is YPANJTFNNFHCCK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20FNO2/c1-2-19(21(24)23-14-15-10-12-17(22)13-11-15)25-20-9-5-7-16-6-3-4-8-18(16)20/h3-13,19H,2,14H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 337.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 92674999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).