5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide

C9H11BrN2O2 — CID 4195211

IUPAC5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
SMILESCC(C)C=NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrN2O2/c1-6(2)5-11-12-9(13)7-3-4-8(10)14-7/h3-6H,1-2H3,(H,12,13)
InChIKeyGENBUMLLTHHCBL-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.41
Rot. Bonds3

About 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide

5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide (PubChem CID 4195211) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
PubChem CID4195211
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
SMILESCC(C)C=NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrN2O2/c1-6(2)5-11-12-9(13)7-3-4-8(10)14-7/h3-6H,1-2H3,(H,12,13)
InChIKeyGENBUMLLTHHCBL-UHFFFAOYSA-N
XLogP2.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide
CID 4614980
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
5-bromo-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]furan-2-carboxamide
CID 6949114
5-bromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 5411667
5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide
CID 3788179
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
CID 5421765
5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide (CID 4195211) is 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide is CC(C)C=NNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide?
The InChIKey is GENBUMLLTHHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(2)5-11-12-9(13)7-3-4-8(10)14-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide?
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide is sourced from PubChem (CID 4195211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).