4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide

C22H27FN2O3 — CID 32627981

IUPAC4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)N1CCOCC1
InChIInChI=1S/C22H27FN2O3/c1-16(2)21(25-11-13-27-14-12-25)15-24-22(26)17-3-7-19(8-4-17)28-20-9-5-18(23)6-10-20/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyFSKGHHLWDYYQQQ-OAQYLSRUSA-N
MW386.47 g/mol
LogP3.70
Rot. Bonds7

About 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide

4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide (PubChem CID 32627981) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
PubChem CID32627981
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)N1CCOCC1
InChIInChI=1S/C22H27FN2O3/c1-16(2)21(25-11-13-27-14-12-25)15-24-22(26)17-3-7-19(8-4-17)28-20-9-5-18(23)6-10-20/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyFSKGHHLWDYYQQQ-OAQYLSRUSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide
CID 167837572
4-methoxy-N-[2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 111931216
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111678523
4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide
CID 42938424
4-ethoxy-N-[(2R)-3-methyl-1-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25469531
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide
CID 46970579
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide (CID 32627981) is 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide is CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide?
The InChIKey is FSKGHHLWDYYQQQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-16(2)21(25-11-13-27-14-12-25)15-24-22(26)17-3-7-19(8-4-17)28-20-9-5-18(23)6-10-20/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide?
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide is sourced from PubChem (CID 32627981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).