2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide

C20H17BrN2O3 — CID 94832080

IUPAC2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(/C=N/c2ccc(Br)cc2)cc1)NCc1ccco1
InChIInChI=1S/C20H17BrN2O3/c21-16-5-7-17(8-6-16)22-12-15-3-9-18(10-4-15)26-14-20(24)23-13-19-2-1-11-25-19/h1-12H,13-14H2,(H,23,24)/b22-12+
InChIKeyLIXLYEYFOPHAHV-WSDLNYQXSA-N
MW413.27 g/mol
LogP4.49
Rot. Bonds7

About 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide

2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 94832080) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID94832080
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(/C=N/c2ccc(Br)cc2)cc1)NCc1ccco1
InChIInChI=1S/C20H17BrN2O3/c21-16-5-7-17(8-6-16)22-12-15-3-9-18(10-4-15)26-14-20(24)23-13-19-2-1-11-25-19/h1-12H,13-14H2,(H,23,24)/b22-12+
InChIKeyLIXLYEYFOPHAHV-WSDLNYQXSA-N
XLogP4.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7702022
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5440236
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922
N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94832505
N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
CID 94832020
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 94832081
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832643
N-(furan-2-ylmethyl)-2-[4-[[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 4027048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide (CID 94832080) is 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc(/C=N/c2ccc(Br)cc2)cc1)NCc1ccco1.
What is the InChIKey of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LIXLYEYFOPHAHV-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c21-16-5-7-17(8-6-16)22-12-15-3-9-18(10-4-15)26-14-20(24)23-13-19-2-1-11-25-19/h1-12H,13-14H2,(H,23,24)/b22-12+.
What are the key properties of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 413.27 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 94832080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).