N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

C16H16Br2N2O3 — CID 19208018

IUPACN-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)o1
InChIInChI=1S/C16H16Br2N2O3/c1-10(2)13-7-11(17)3-5-14(13)22-9-16(21)20-19-8-12-4-6-15(18)23-12/h3-8,10H,9H2,1-2H3,(H,20,21)/b19-8+
InChIKeyBVGLWDBNPQRWCJ-UFWORHAWSA-N
MW444.12 g/mol
LogP4.46
Rot. Bonds6

About N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (PubChem CID 19208018) has the molecular formula C16H16Br2N2O3 and a molecular weight of 444.12 g/mol. Its IUPAC name is N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
PubChem CID19208018
Molecular FormulaC16H16Br2N2O3
Molecular Weight444.12 g/mol
Exact Mass441.95
IUPAC NameN-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)o1
InChIInChI=1S/C16H16Br2N2O3/c1-10(2)13-7-11(17)3-5-14(13)22-9-16(21)20-19-8-12-4-6-15(18)23-12/h3-8,10H,9H2,1-2H3,(H,20,21)/b19-8+
InChIKeyBVGLWDBNPQRWCJ-UFWORHAWSA-N
XLogP4.46
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.12
LogP ≤ 54.46
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

2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19207996
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207980
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19207992
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide
CID 19207893
N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1369815
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 19207986
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885510
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135804971

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (CID 19208018) is N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)o1.
What is the InChIKey of N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The InChIKey is BVGLWDBNPQRWCJ-UFWORHAWSA-N. The full InChI is InChI=1S/C16H16Br2N2O3/c1-10(2)13-7-11(17)3-5-14(13)22-9-16(21)20-19-8-12-4-6-15(18)23-12/h3-8,10H,9H2,1-2H3,(H,20,21)/b19-8+.
What are the key properties of N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide has a molecular weight of 444.12 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19208018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).