N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide

C21H25FN2O3 — CID 131930823

IUPACN-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide
SMILESO=C(c1ccccc1N1CCOCC1)N(CCCO)Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c22-18-8-6-17(7-9-18)16-24(10-3-13-25)21(26)19-4-1-2-5-20(19)23-11-14-27-15-12-23/h1-2,4-9,25H,3,10-16H2
InChIKeyAOBLXZNJRHRKCU-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.69
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide

N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide (PubChem CID 131930823) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide
PubChem CID131930823
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide
SMILESO=C(c1ccccc1N1CCOCC1)N(CCCO)Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c22-18-8-6-17(7-9-18)16-24(10-3-13-25)21(26)19-4-1-2-5-20(19)23-11-14-27-15-12-23/h1-2,4-9,25H,3,10-16H2
InChIKeyAOBLXZNJRHRKCU-UHFFFAOYSA-N
XLogP2.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 42773435
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 131943368
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide
CID 131951452
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225335
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 3546877
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3683511
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide (CID 131930823) is N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide is O=C(c1ccccc1N1CCOCC1)N(CCCO)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide?
The InChIKey is AOBLXZNJRHRKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-18-8-6-17(7-9-18)16-24(10-3-13-25)21(26)19-4-1-2-5-20(19)23-11-14-27-15-12-23/h1-2,4-9,25H,3,10-16H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide?
N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide has a molecular weight of 372.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131930823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).