3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide

C28H36FN3O3 — CID 69034832

IUPAC3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
SMILESCC(C)(C)Oc1ccc(CN2CC3C(CNC(=O)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1
InChIInChI=1S/C28H36FN3O3/c1-28(2,3)35-21-7-4-19(5-8-21)16-31-17-23-22(24(23)18-31)15-30-27(33)20-6-9-26(25(29)14-20)32-10-12-34-13-11-32/h4-9,14,22-24H,10-13,15-18H2,1-3H3,(H,30,33)
InChIKeyHTWCJYKYIAZOCF-UHFFFAOYSA-N
MW481.61 g/mol
LogP3.95
Rot. Bonds7

About 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide

3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide (PubChem CID 69034832) has the molecular formula C28H36FN3O3 and a molecular weight of 481.61 g/mol. Its IUPAC name is 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
PubChem CID69034832
Molecular FormulaC28H36FN3O3
Molecular Weight481.61 g/mol
Exact Mass481.27
IUPAC Name3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
SMILESCC(C)(C)Oc1ccc(CN2CC3C(CNC(=O)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1
InChIInChI=1S/C28H36FN3O3/c1-28(2,3)35-21-7-4-19(5-8-21)16-31-17-23-22(24(23)18-31)15-30-27(33)20-6-9-26(25(29)14-20)32-10-12-34-13-11-32/h4-9,14,22-24H,10-13,15-18H2,1-3H3,(H,30,33)
InChIKeyHTWCJYKYIAZOCF-UHFFFAOYSA-N
XLogP3.95
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide with MolForge

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Related Compounds

N-[[3-[3-(4-chlorophenoxy)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 69033982
3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
CID 69034763
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
3-fluoro-4-morpholin-4-yl-N-[[3-[(3,4,5-trimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]aniline
CID 69037340
N-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 67302771
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
N-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 67307588
N-[1-[N-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylanilino]-1-oxopropan-2-yl]benzamide
CID 67302476
thiophen-2-yl N-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 129158799
N-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-methylbenzamide
CID 67302677
3-fluoro-N-[[3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 67307396

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide (CID 69034832) is 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide is CC(C)(C)Oc1ccc(CN2CC3C(CNC(=O)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1.
What is the InChIKey of 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
The InChIKey is HTWCJYKYIAZOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O3/c1-28(2,3)35-21-7-4-19(5-8-21)16-31-17-23-22(24(23)18-31)15-30-27(33)20-6-9-26(25(29)14-20)32-10-12-34-13-11-32/h4-9,14,22-24H,10-13,15-18H2,1-3H3,(H,30,33).
What are the key properties of 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide has a molecular weight of 481.61 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 69034832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).