3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide

C9H11ClFN3O — CID 107528793

IUPAC3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
SMILESN/C(CCNc1cc(F)ccc1Cl)=N/O
InChIInChI=1S/C9H11ClFN3O/c10-7-2-1-6(11)5-8(7)13-4-3-9(12)14-15/h1-2,5,13,15H,3-4H2,(H2,12,14)
InChIKeyHGWBVOYIEATVSL-UHFFFAOYSA-N
MW231.66 g/mol
LogP2.03
Rot. Bonds4

About 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide

3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide (PubChem CID 107528793) has the molecular formula C9H11ClFN3O and a molecular weight of 231.66 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
PubChem CID107528793
Molecular FormulaC9H11ClFN3O
Molecular Weight231.66 g/mol
Exact Mass231.06
IUPAC Name3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
SMILESN/C(CCNc1cc(F)ccc1Cl)=N/O
InChIInChI=1S/C9H11ClFN3O/c10-7-2-1-6(11)5-8(7)13-4-3-9(12)14-15/h1-2,5,13,15H,3-4H2,(H2,12,14)
InChIKeyHGWBVOYIEATVSL-UHFFFAOYSA-N
XLogP2.03
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 52.03
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-(2-chloro-4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77028777
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
CID 114260347
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
CID 79766667
3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
CID 77029578
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide
CID 77032102
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
6-(2-chloro-5-fluoroanilino)hexanoic acid
CID 107528389
N-but-3-ynyl-2-chloro-5-fluoroaniline
CID 103864067

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide (CID 107528793) is 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide is N/C(CCNc1cc(F)ccc1Cl)=N/O.
What is the InChIKey of 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide?
The InChIKey is HGWBVOYIEATVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3O/c10-7-2-1-6(11)5-8(7)13-4-3-9(12)14-15/h1-2,5,13,15H,3-4H2,(H2,12,14).
What are the key properties of 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide?
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide has a molecular weight of 231.66 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 107528793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).