3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide

C23H27FN2O3 — CID 91479903

IUPAC3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1CC1CCCO1
InChIInChI=1S/C23H27FN2O3/c1-16-4-5-20(12-17(16)14-22-3-2-8-29-22)25-23(27)18-11-19(24)15-21(13-18)26-6-9-28-10-7-26/h4-5,11-13,15,22H,2-3,6-10,14H2,1H3,(H,25,27)
InChIKeyJQEAXNMZXQAJDY-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.94
Rot. Bonds5

About 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide

3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide (PubChem CID 91479903) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
PubChem CID91479903
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1CC1CCCO1
InChIInChI=1S/C23H27FN2O3/c1-16-4-5-20(12-17(16)14-22-3-2-8-29-22)25-23(27)18-11-19(24)15-21(13-18)26-6-9-28-10-7-26/h4-5,11-13,15,22H,2-3,6-10,14H2,1H3,(H,25,27)
InChIKeyJQEAXNMZXQAJDY-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-methyl-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-morpholin-4-ylbenzamide
CID 22594080
N-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 86759591
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
3-fluoro-N-[4-methyl-3-[[5-methyl-6-(morpholine-4-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]-5-morpholin-4-ylbenzamide
CID 58780506
N-[3-[1-amino-4-[(3,4-dimethoxyphenyl)methyl-methylamino]-3,4-dioxobut-1-enyl]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 173496733
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69032599
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
CID 154784049
3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide
CID 89347225
N-(4-morpholin-4-ylphenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41094823

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide (CID 91479903) is 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1CC1CCCO1.
What is the InChIKey of 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide?
The InChIKey is JQEAXNMZXQAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16-4-5-20(12-17(16)14-22-3-2-8-29-22)25-23(27)18-11-19(24)15-21(13-18)26-6-9-28-10-7-26/h4-5,11-13,15,22H,2-3,6-10,14H2,1H3,(H,25,27).
What are the key properties of 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide?
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 91479903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).