5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide

C14H13BrN2O3 — CID 932602

IUPAC5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H13BrN2O3/c1-2-19-11-5-3-10(4-6-11)9-16-17-14(18)12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeyPRRJMMSCPIUHHR-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.20
Rot. Bonds5

About 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide

5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 932602) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID932602
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H13BrN2O3/c1-2-19-11-5-3-10(4-6-11)9-16-17-14(18)12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeyPRRJMMSCPIUHHR-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.20
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-[(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
5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6894268
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760412
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 3324384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 932602) is 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide is CCOc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is PRRJMMSCPIUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-2-19-11-5-3-10(4-6-11)9-16-17-14(18)12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide?
5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 932602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).