3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide

C15H15ClFN3O — CID 107366782

IUPAC3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide
SMILESN/C(CC(Nc1cc(F)cc(Cl)c1)c1ccccc1)=N/O
InChIInChI=1S/C15H15ClFN3O/c16-11-6-12(17)8-13(7-11)19-14(9-15(18)20-21)10-4-2-1-3-5-10/h1-8,14,19,21H,9H2,(H2,18,20)
InChIKeyALYYQIXLUTVBQO-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.77
Rot. Bonds5

About 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide

3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 107366782) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID107366782
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide
SMILESN/C(CC(Nc1cc(F)cc(Cl)c1)c1ccccc1)=N/O
InChIInChI=1S/C15H15ClFN3O/c16-11-6-12(17)8-13(7-11)19-14(9-15(18)20-21)10-4-2-1-3-5-10/h1-8,14,19,21H,9H2,(H2,18,20)
InChIKeyALYYQIXLUTVBQO-UHFFFAOYSA-N
XLogP3.77
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.77
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-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 107606984
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77120050
3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 107365097
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 107364470

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide (CID 107366782) is 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide is N/C(CC(Nc1cc(F)cc(Cl)c1)c1ccccc1)=N/O.
What is the InChIKey of 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is ALYYQIXLUTVBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-11-6-12(17)8-13(7-11)19-14(9-15(18)20-21)10-4-2-1-3-5-10/h1-8,14,19,21H,9H2,(H2,18,20).
What are the key properties of 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide?
3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 307.76 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 107366782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).