3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide

C15H15ClIN3O — CID 107606984

IUPAC3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide
SMILESN/C(CC(Nc1ccc(I)cc1Cl)c1ccccc1)=N/O
InChIInChI=1S/C15H15ClIN3O/c16-12-8-11(17)6-7-13(12)19-14(9-15(18)20-21)10-4-2-1-3-5-10/h1-8,14,19,21H,9H2,(H2,18,20)
InChIKeyXQBOBDNCTQVAMN-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.23
Rot. Bonds5

About 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide

3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 107606984) has the molecular formula C15H15ClIN3O and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID107606984
Molecular FormulaC15H15ClIN3O
Molecular Weight415.66 g/mol
Exact Mass414.99
IUPAC Name3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide
SMILESN/C(CC(Nc1ccc(I)cc1Cl)c1ccccc1)=N/O
InChIInChI=1S/C15H15ClIN3O/c16-12-8-11(17)6-7-13(12)19-14(9-15(18)20-21)10-4-2-1-3-5-10/h1-8,14,19,21H,9H2,(H2,18,20)
InChIKeyXQBOBDNCTQVAMN-UHFFFAOYSA-N
XLogP4.23
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.23
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': 'iodine', '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-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
CID 107607002
3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77120050
3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 107366782
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
CID 55199390
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
3-amino-N-(2-chloro-4-iodophenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 107605681
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide (CID 107606984) is 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide is N/C(CC(Nc1ccc(I)cc1Cl)c1ccccc1)=N/O.
What is the InChIKey of 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is XQBOBDNCTQVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3O/c16-12-8-11(17)6-7-13(12)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-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide?
3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 415.66 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 107606984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).