2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide

C9H11BrFN3O — CID 77025192

IUPAC2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide
SMILESCC(Nc1ccc(Br)cc1F)C(N)=NO
InChIInChI=1S/C9H11BrFN3O/c1-5(9(12)14-15)13-8-3-2-6(10)4-7(8)11/h2-5,13,15H,1H3,(H2,12,14)
InChIKeyPWKVRQWPQHJCIC-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide

2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide (PubChem CID 77025192) has the molecular formula C9H11BrFN3O and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide
PubChem CID77025192
Molecular FormulaC9H11BrFN3O
Molecular Weight276.11 g/mol
Exact Mass275.01
IUPAC Name2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide
SMILESCC(Nc1ccc(Br)cc1F)C(N)=NO
InChIInChI=1S/C9H11BrFN3O/c1-5(9(12)14-15)13-8-3-2-6(10)4-7(8)11/h2-5,13,15H,1H3,(H2,12,14)
InChIKeyPWKVRQWPQHJCIC-UHFFFAOYSA-N
XLogP2.13
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.13
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-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
CID 77028561
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
4-bromo-2-fluoro-N-heptan-4-ylaniline
CID 28517550
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide (CID 77025192) is 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide is CC(Nc1ccc(Br)cc1F)C(N)=NO.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide?
The InChIKey is PWKVRQWPQHJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3O/c1-5(9(12)14-15)13-8-3-2-6(10)4-7(8)11/h2-5,13,15H,1H3,(H2,12,14).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide?
2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide has a molecular weight of 276.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77025192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).