2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide

C21H24ClFN2O2 — CID 47487314

IUPAC2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
SMILESCC(NCC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C21H24ClFN2O2/c1-15(20(26)25-19-5-3-2-4-18(19)23)24-14-21(10-12-27-13-11-21)16-6-8-17(22)9-7-16/h2-9,15,24H,10-14H2,1H3,(H,25,26)
InChIKeyIJRSCYQKRLACLP-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.14
Rot. Bonds6

About 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide

2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide (PubChem CID 47487314) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
PubChem CID47487314
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
SMILESCC(NCC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C21H24ClFN2O2/c1-15(20(26)25-19-5-3-2-4-18(19)23)24-14-21(10-12-27-13-11-21)16-6-8-17(22)9-7-16/h2-9,15,24H,10-14H2,1H3,(H,25,26)
InChIKeyIJRSCYQKRLACLP-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52510327
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
CID 55478369
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
2-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 86845463
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923
(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 95125347
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 27449167

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide (CID 47487314) is 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide is CC(NCC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide?
The InChIKey is IJRSCYQKRLACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-15(20(26)25-19-5-3-2-4-18(19)23)24-14-21(10-12-27-13-11-21)16-6-8-17(22)9-7-16/h2-9,15,24H,10-14H2,1H3,(H,25,26).
What are the key properties of 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide?
2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide has a molecular weight of 390.89 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 47487314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).