4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one

C24H25FN2O2 — CID 122522388

IUPAC4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
SMILESC[C@H](NCC1CN(c2ccc(CF)cc2)C(=O)CO1)c1cccc2ccccc12
InChIInChI=1S/C24H25FN2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-14-21-15-27(24(28)16-29-21)20-11-9-18(13-25)10-12-20/h2-12,17,21,26H,13-16H2,1H3/t17-,21?/m0/s1
InChIKeyFTEBZTPOKKPJTL-PBVYKCSPSA-N
MW392.47 g/mol
LogP4.39
Rot. Bonds6

About 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one

4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one (PubChem CID 122522388) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
PubChem CID122522388
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
SMILESC[C@H](NCC1CN(c2ccc(CF)cc2)C(=O)CO1)c1cccc2ccccc12
InChIInChI=1S/C24H25FN2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-14-21-15-27(24(28)16-29-21)20-11-9-18(13-25)10-12-20/h2-12,17,21,26H,13-16H2,1H3/t17-,21?/m0/s1
InChIKeyFTEBZTPOKKPJTL-PBVYKCSPSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
The IUPAC name of 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one (CID 122522388) is 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one.
What is the SMILES notation for 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
The canonical SMILES for 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one is C[C@H](NCC1CN(c2ccc(CF)cc2)C(=O)CO1)c1cccc2ccccc12.
What is the InChIKey of 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
The InChIKey is FTEBZTPOKKPJTL-PBVYKCSPSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-14-21-15-27(24(28)16-29-21)20-11-9-18(13-25)10-12-20/h2-12,17,21,26H,13-16H2,1H3/t17-,21?/m0/s1.
What are the key properties of 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one has a molecular weight of 392.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 122522388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).