2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide

C20H23FN3O2+ — CID 9214884

IUPAC2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1F)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H22FN3O2/c1-15(22-23-20(25)17-9-5-6-10-18(17)21)19(16-7-3-2-4-8-16)24-11-13-26-14-12-24/h2-10,19H,11-14H2,1H3,(H,23,25)/p+1/b22-15-/t19-/m0/s1
InChIKeyPLLRHHUSDNWWDO-UQRWVXEISA-O
MW356.42 g/mol
LogP1.59
Rot. Bonds5

About 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide

2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (PubChem CID 9214884) has the molecular formula C20H23FN3O2+ and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
PubChem CID9214884
Molecular FormulaC20H23FN3O2+
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1F)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H22FN3O2/c1-15(22-23-20(25)17-9-5-6-10-18(17)21)19(16-7-3-2-4-8-16)24-11-13-26-14-12-24/h2-10,19H,11-14H2,1H3,(H,23,25)/p+1/b22-15-/t19-/m0/s1
InChIKeyPLLRHHUSDNWWDO-UQRWVXEISA-O
XLogP1.59
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9212466
3,4,5-trimethoxy-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214506
3-methyl-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9231942
N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-2-thiophen-2-ylacetamide
CID 9295932
2-(4-methoxyphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217593
2-(4-ethylphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9218132
1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]thiourea
CID 9216820
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9231790
ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
CID 3435189
2-fluoro-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide
CID 2311589
2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide
CID 6595995
(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
CID 6991525

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (CID 9214884) is 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is C/C(=N/NC(=O)c1ccccc1F)[C@@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The InChIKey is PLLRHHUSDNWWDO-UQRWVXEISA-O. The full InChI is InChI=1S/C20H22FN3O2/c1-15(22-23-20(25)17-9-5-6-10-18(17)21)19(16-7-3-2-4-8-16)24-11-13-26-14-12-24/h2-10,19H,11-14H2,1H3,(H,23,25)/p+1/b22-15-/t19-/m0/s1.
What are the key properties of 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is sourced from PubChem (CID 9214884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).