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

C20H22BrN3O2 — CID 9194746

IUPAC2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Br)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22BrN3O2/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)/b22-15-/t19-/m0/s1
InChIKeyNECHCEFUNKQFLI-UQRWVXEISA-N
MW416.32 g/mol
LogP3.63
Rot. Bonds5

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

2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (PubChem CID 9194746) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
PubChem CID9194746
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Br)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22BrN3O2/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)/b22-15-/t19-/m0/s1
InChIKeyNECHCEFUNKQFLI-UQRWVXEISA-N
XLogP3.63
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9231603
3-methyl-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9231951
N-(methylcarbamoyl)-2-morpholin-4-yl-2-phenylacetamide
CID 17441773
2-(3-methylphenoxy)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217138
2-(3-methoxyanilino)-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9039306
2,5-dimethyl-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 9212626
2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9212466
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
3,5-dichloro-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]pyridin-2-amine
CID 9232099
2-fluoro-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214884
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-bromobenzamide
CID 4301552
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide (CID 9194746) is 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is C/C(=N/NC(=O)c1ccccc1Br)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
The InChIKey is NECHCEFUNKQFLI-UQRWVXEISA-N. The full InChI is InChI=1S/C20H22BrN3O2/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)/b22-15-/t19-/m0/s1.
What are the key properties of 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide?
2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide has a molecular weight of 416.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[(1R)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]benzamide is sourced from PubChem (CID 9194746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).