5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C14H13BrN2O4 — CID 6894268

IUPAC5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1O
InChIInChI=1S/C14H13BrN2O4/c1-2-20-11-4-3-9(7-10(11)18)8-16-17-14(19)12-5-6-13(15)21-12/h3-8,18H,2H2,1H3,(H,17,19)/b16-8+
InChIKeyVAJJUNVAGJWTJZ-LZYBPNLTSA-N
MW353.17 g/mol
LogP2.91
Rot. Bonds5

About 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide

5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6894268) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6894268
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1O
InChIInChI=1S/C14H13BrN2O4/c1-2-20-11-4-3-9(7-10(11)18)8-16-17-14(19)12-5-6-13(15)21-12/h3-8,18H,2H2,1H3,(H,17,19)/b16-8+
InChIKeyVAJJUNVAGJWTJZ-LZYBPNLTSA-N
XLogP2.91
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
CID 86771777
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 3324384
N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
CID 5016770
2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6261259
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1219241
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 6894268) is 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide is CCOc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1O.
What is the InChIKey of 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is VAJJUNVAGJWTJZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-2-20-11-4-3-9(7-10(11)18)8-16-17-14(19)12-5-6-13(15)21-12/h3-8,18H,2H2,1H3,(H,17,19)/b16-8+.
What are the key properties of 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 353.17 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6894268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).