2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide

C14H13BrN2O3 — CID 7702022

IUPAC2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CO/N=C\c1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C14H13BrN2O3/c15-12-5-3-11(4-6-12)8-17-20-10-14(18)16-9-13-2-1-7-19-13/h1-8H,9-10H2,(H,16,18)/b17-8-
InChIKeyQTLYPEYHNWSMKK-IUXPMGMMSA-N
MW337.17 g/mol
LogP2.71
Rot. Bonds6

About 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide

2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 7702022) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
PubChem CID7702022
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CO/N=C\c1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C14H13BrN2O3/c15-12-5-3-11(4-6-12)8-17-20-10-14(18)16-9-13-2-1-7-19-13/h1-8H,9-10H2,(H,16,18)/b17-8-
InChIKeyQTLYPEYHNWSMKK-IUXPMGMMSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.71
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-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 94832080
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7702191
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7486452
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971766
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7882158
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide (CID 7702022) is 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide is O=C(CO/N=C\c1ccc(Br)cc1)NCc1ccco1.
What is the InChIKey of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QTLYPEYHNWSMKK-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-12-5-3-11(4-6-12)8-17-20-10-14(18)16-9-13-2-1-7-19-13/h1-8H,9-10H2,(H,16,18)/b17-8-.
What are the key properties of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 337.17 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 7702022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).