2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide

C12H9Br2N3O3 — CID 107800705

IUPAC2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
SMILESN/C(=N/O)c1ccc(Br)cc1NC(=O)c1ccoc1Br
InChIInChI=1S/C12H9Br2N3O3/c13-6-1-2-7(11(15)17-19)9(5-6)16-12(18)8-3-4-20-10(8)14/h1-5,19H,(H2,15,17)(H,16,18)
InChIKeyHFMKGMMFPRAFPU-UHFFFAOYSA-N
MW403.03 g/mol
LogP3.15
Rot. Bonds3

About 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide

2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide (PubChem CID 107800705) has the molecular formula C12H9Br2N3O3 and a molecular weight of 403.03 g/mol. Its IUPAC name is 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
PubChem CID107800705
Molecular FormulaC12H9Br2N3O3
Molecular Weight403.03 g/mol
Exact Mass400.90
IUPAC Name2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
SMILESN/C(=N/O)c1ccc(Br)cc1NC(=O)c1ccoc1Br
InChIInChI=1S/C12H9Br2N3O3/c13-6-1-2-7(11(15)17-19)9(5-6)16-12(18)8-3-4-20-10(8)14/h1-5,19H,(H2,15,17)(H,16,18)
InChIKeyHFMKGMMFPRAFPU-UHFFFAOYSA-N
XLogP3.15
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.03
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 106855740
N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 107800688
N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-hydroxybenzamide
CID 107800689
2-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-3-carboxamide
CID 106855807
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107800714
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-3-carboxamide
CID 107800715
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 107800573
N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-chloropyridine-2-carboxamide
CID 107800572
N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 107800652
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 107800560
1-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-cyclopropylurea
CID 114002745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide (CID 107800705) is 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide is N/C(=N/O)c1ccc(Br)cc1NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide?
The InChIKey is HFMKGMMFPRAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O3/c13-6-1-2-7(11(15)17-19)9(5-6)16-12(18)8-3-4-20-10(8)14/h1-5,19H,(H2,15,17)(H,16,18).
What are the key properties of 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide?
2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide has a molecular weight of 403.03 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 107800705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).