3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide

C18H27FN2O3 — CID 111463648

IUPAC3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H27FN2O3/c1-4-13(2)18(3,23)12-20-17(22)14-5-6-16(15(19)11-14)21-7-9-24-10-8-21/h5-6,11,13,23H,4,7-10,12H2,1-3H3,(H,20,22)
InChIKeyNSPZMRFRQCYCPE-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.19
Rot. Bonds6

About 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide

3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide (PubChem CID 111463648) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
PubChem CID111463648
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H27FN2O3/c1-4-13(2)18(3,23)12-20-17(22)14-5-6-16(15(19)11-14)21-7-9-24-10-8-21/h5-6,11,13,23H,4,7-10,12H2,1-3H3,(H,20,22)
InChIKeyNSPZMRFRQCYCPE-UHFFFAOYSA-N
XLogP2.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
CID 111334766
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111477879
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
CID 138998487
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 138998358

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide (CID 111463648) is 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide?
The InChIKey is NSPZMRFRQCYCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-4-13(2)18(3,23)12-20-17(22)14-5-6-16(15(19)11-14)21-7-9-24-10-8-21/h5-6,11,13,23H,4,7-10,12H2,1-3H3,(H,20,22).
What are the key properties of 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide?
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide has a molecular weight of 338.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 111463648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).