2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide

C19H19BrFN3O2 — CID 19061673

IUPAC2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H19BrFN3O2/c20-16-4-1-14(2-5-16)12-19(25)23-22-13-15-3-6-18(17(21)11-15)24-7-9-26-10-8-24/h1-6,11,13H,7-10,12H2,(H,23,25)/b22-13+
InChIKeyWWHZKKPANODDED-LPYMAVHISA-N
MW420.28 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide (PubChem CID 19061673) has the molecular formula C19H19BrFN3O2 and a molecular weight of 420.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
PubChem CID19061673
Molecular FormulaC19H19BrFN3O2
Molecular Weight420.28 g/mol
Exact Mass419.06
IUPAC Name2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H19BrFN3O2/c20-16-4-1-14(2-5-16)12-19(25)23-22-13-15-3-6-18(17(21)11-15)24-7-9-26-10-8-24/h1-6,11,13H,7-10,12H2,(H,23,25)/b22-13+
InChIKeyWWHZKKPANODDED-LPYMAVHISA-N
XLogP3.12
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 53.12
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

5-bromo-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126151566
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 17246516
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
CID 30490824
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015638
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
2-(4-fluorophenyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 126242971
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide (CID 19061673) is 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The InChIKey is WWHZKKPANODDED-LPYMAVHISA-N. The full InChI is InChI=1S/C19H19BrFN3O2/c20-16-4-1-14(2-5-16)12-19(25)23-22-13-15-3-6-18(17(21)11-15)24-7-9-26-10-8-24/h1-6,11,13H,7-10,12H2,(H,23,25)/b22-13+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide has a molecular weight of 420.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19061673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).