N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide

C14H11BrFN3O2 — CID 107637415

IUPACN-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N/O)c1cccc(C(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11BrFN3O2/c15-11-5-4-10(16)7-12(11)18-14(20)9-3-1-2-8(6-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyGLNWGVPJPUEHBQ-UHFFFAOYSA-N
MW352.16 g/mol
LogP2.93
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide

N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 107637415) has the molecular formula C14H11BrFN3O2 and a molecular weight of 352.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID107637415
Molecular FormulaC14H11BrFN3O2
Molecular Weight352.16 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide
SMILESN/C(=N/O)c1cccc(C(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H11BrFN3O2/c15-11-5-4-10(16)7-12(11)18-14(20)9-3-1-2-8(6-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20)
InChIKeyGLNWGVPJPUEHBQ-UHFFFAOYSA-N
XLogP2.93
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 52.93
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

N-(2-bromo-4-fluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333248
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
(2-bromo-5-fluorophenyl)urea
CID 99639427
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637344
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide (CID 107637415) is N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide is N/C(=N/O)c1cccc(C(=O)Nc2cc(F)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is GLNWGVPJPUEHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O2/c15-11-5-4-10(16)7-12(11)18-14(20)9-3-1-2-8(6-9)13(17)19-21/h1-7,21H,(H2,17,19)(H,18,20).
What are the key properties of N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide?
N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 352.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3-[(E)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 107637415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).