2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

C14H11Br2N3O2 — CID 114375212

IUPAC2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2N3O2/c15-9-4-5-12(16)11(7-9)14(20)18-10-3-1-2-8(6-10)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyFUNOZJNSWFOCRQ-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.56
Rot. Bonds3

About 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (PubChem CID 114375212) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
PubChem CID114375212
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC Name2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2N3O2/c15-9-4-5-12(16)11(7-9)14(20)18-10-3-1-2-8(6-10)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyFUNOZJNSWFOCRQ-UHFFFAOYSA-N
XLogP3.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423
2,5-dibromo-N-carbamoylbenzamide
CID 114375953
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (CID 114375212) is 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is N/C(=N/O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The InChIKey is FUNOZJNSWFOCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c15-9-4-5-12(16)11(7-9)14(20)18-10-3-1-2-8(6-10)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide has a molecular weight of 413.07 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is sourced from PubChem (CID 114375212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).