4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide

C18H19BrN4O4 — CID 6372663

IUPAC4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C18H19BrN4O4/c1-12(24)21-14-4-2-13(3-5-14)17(25)22-20-11-15-10-16(19)18(27-15)23-6-8-26-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,22,25)/b20-11-
InChIKeyZZADQPNXUILESQ-JAIQZWGSSA-N
MW435.28 g/mol
LogP2.60
Rot. Bonds5

About 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide

4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6372663) has the molecular formula C18H19BrN4O4 and a molecular weight of 435.28 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
PubChem CID6372663
Molecular FormulaC18H19BrN4O4
Molecular Weight435.28 g/mol
Exact Mass434.06
IUPAC Name4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C18H19BrN4O4/c1-12(24)21-14-4-2-13(3-5-14)17(25)22-20-11-15-10-16(19)18(27-15)23-6-8-26-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,22,25)/b20-11-
InChIKeyZZADQPNXUILESQ-JAIQZWGSSA-N
XLogP2.60
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3,5-dibromo-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 124534033
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
4-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 3493462
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide (CID 6372663) is 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is ZZADQPNXUILESQ-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19BrN4O4/c1-12(24)21-14-4-2-13(3-5-14)17(25)22-20-11-15-10-16(19)18(27-15)23-6-8-26-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,22,25)/b20-11-.
What are the key properties of 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 435.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-(4-bromo-5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).