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

C15H14BrN3O2 — CID 76935570

IUPAC3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
SMILESCc1ccc(C(N)=NO)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-9-5-6-10(14(17)19-21)8-13(9)18-15(20)11-3-2-4-12(16)7-11/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyJLOMJLCQJQNPBT-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.10
Rot. Bonds3

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

3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide (PubChem CID 76935570) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
PubChem CID76935570
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
SMILESCc1ccc(C(N)=NO)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-9-5-6-10(14(17)19-21)8-13(9)18-15(20)11-3-2-4-12(16)7-11/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyJLOMJLCQJQNPBT-UHFFFAOYSA-N
XLogP3.10
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.10
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

4-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935592
N-(5-bromo-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43806257
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-3-carboxamide
CID 76935512
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 76935517
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061535
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide?
The IUPAC name of 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide (CID 76935570) is 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide?
The canonical SMILES for 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide is Cc1ccc(C(N)=NO)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide?
The InChIKey is JLOMJLCQJQNPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-9-5-6-10(14(17)19-21)8-13(9)18-15(20)11-3-2-4-12(16)7-11/h2-8,21H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide?
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide has a molecular weight of 348.20 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 76935570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).