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

C15H15BrN2O3 — CID 27519009

IUPAC5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCC(C)Oc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H15BrN2O3/c1-10(2)20-12-5-3-11(4-6-12)9-17-18-15(19)13-7-8-14(16)21-13/h3-10H,1-2H3,(H,18,19)
InChIKeyDGIVWEXEHYPVGX-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.59
Rot. Bonds5

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

5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 27519009) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID27519009
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCC(C)Oc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H15BrN2O3/c1-10(2)20-12-5-3-11(4-6-12)9-17-18-15(19)13-7-8-14(16)21-13/h3-10H,1-2H3,(H,18,19)
InChIKeyDGIVWEXEHYPVGX-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.59
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

5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6261259
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide
CID 4662117
[4-[[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4670241
5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6894268
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide (CID 27519009) is 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide is CC(C)Oc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is DGIVWEXEHYPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10(2)20-12-5-3-11(4-6-12)9-17-18-15(19)13-7-8-14(16)21-13/h3-10H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide?
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 3.59, 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-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 27519009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).