3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide

C15H15BrFN3O — CID 77043766

IUPAC3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C15H15BrFN3O/c16-13-8-11(17)6-7-14(13)19-9-12(15(18)20-21)10-4-2-1-3-5-10/h1-8,12,19,21H,9H2,(H2,18,20)
InChIKeySZTKMRSLEQXZRE-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.53
Rot. Bonds5

About 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide

3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77043766) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77043766
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C15H15BrFN3O/c16-13-8-11(17)6-7-14(13)19-9-12(15(18)20-21)10-4-2-1-3-5-10/h1-8,12,19,21H,9H2,(H2,18,20)
InChIKeySZTKMRSLEQXZRE-UHFFFAOYSA-N
XLogP3.53
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.53
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

3-(2-bromo-4-methylanilino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043936
3-(3-bromo-4-methylanilino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043774
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
3-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
3-(2,4-difluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027484
methyl 3-(4-fluoro-2-iodoanilino)-2-phenylpropanoate
CID 79759348
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide (CID 77043766) is 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide is NC(=NO)C(CNc1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is SZTKMRSLEQXZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-13-8-11(17)6-7-14(13)19-9-12(15(18)20-21)10-4-2-1-3-5-10/h1-8,12,19,21H,9H2,(H2,18,20).
What are the key properties of 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide?
3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 352.21 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluoroanilino)-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77043766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).