N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

C26H26FN3O3 — CID 118296373

IUPACN-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cc(F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H26FN3O3/c27-21-11-12-24(30-13-15-33-16-14-30)22(18-21)28-26(32)23(17-19-7-3-1-4-8-19)29-25(31)20-9-5-2-6-10-20/h1-12,18,23H,13-17H2,(H,28,32)(H,29,31)
InChIKeyVYPFDYAGBKRIOZ-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.64
Rot. Bonds7

About N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 118296373) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID118296373
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cc(F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H26FN3O3/c27-21-11-12-24(30-13-15-33-16-14-30)22(18-21)28-26(32)23(17-19-7-3-1-4-8-19)29-25(31)20-9-5-2-6-10-20/h1-12,18,23H,13-17H2,(H,28,32)(H,29,31)
InChIKeyVYPFDYAGBKRIOZ-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-piperazin-1-ylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 118296484
ethane;N-[1-(5-fluoro-2-piperazin-1-ylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 144901009
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 148820578
N-[1-[2-(3,5-dimethylpiperazin-1-yl)-5-fluoroanilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide
CID 118296383
N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide
CID 147521395
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
N-[(2R)-1-(5-fluoro-2-piperazin-1-ylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 144900945
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 118296373) is N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1cc(F)ccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is VYPFDYAGBKRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c27-21-11-12-24(30-13-15-33-16-14-30)22(18-21)28-26(32)23(17-19-7-3-1-4-8-19)29-25(31)20-9-5-2-6-10-20/h1-12,18,23H,13-17H2,(H,28,32)(H,29,31).
What are the key properties of N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 447.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 118296373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).