4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide

C14H13Br2N3O — CID 77032919

IUPAC4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H13Br2N3O/c15-11-5-6-12(16)13(7-11)18-8-9-1-3-10(4-2-9)14(17)19-20/h1-7,18,20H,8H2,(H2,17,19)
InChIKeyCBSOROIESHVKJU-UHFFFAOYSA-N
MW399.09 g/mol
LogP3.92
Rot. Bonds4

About 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide

4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77032919) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77032919
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H13Br2N3O/c15-11-5-6-12(16)13(7-11)18-8-9-1-3-10(4-2-9)14(17)19-20/h1-7,18,20H,8H2,(H2,17,19)
InChIKeyCBSOROIESHVKJU-UHFFFAOYSA-N
XLogP3.92
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 53.92
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-[(5-bromo-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77030275
4-[(3-bromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026847
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
CID 43736688
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
4-[(2-chloro-4-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107606996
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 154039588
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
4-[(3-chloro-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029574
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77032919) is 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(CNc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CBSOROIESHVKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c15-11-5-6-12(16)13(7-11)18-8-9-1-3-10(4-2-9)14(17)19-20/h1-7,18,20H,8H2,(H2,17,19).
What are the key properties of 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 399.09 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77032919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).