4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide

C7H7Cl2N3O — CID 2735315

IUPAC4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H7Cl2N3O/c8-4-1-3(7(11)12-13)2-5(9)6(4)10/h1-2,13H,10H2,(H2,11,12)
InChIKeyWBOBDNOWHZRGDC-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.67
Rot. Bonds1

About 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide

4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide (PubChem CID 2735315) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
PubChem CID2735315
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H7Cl2N3O/c8-4-1-3(7(11)12-13)2-5(9)6(4)10/h1-2,13H,10H2,(H2,11,12)
InChIKeyWBOBDNOWHZRGDC-UHFFFAOYSA-N
XLogP1.67
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide
CID 83885583
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
CID 23288277
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
CID 135922656
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
2-[2-chloro-4-(N'-hydroxycarbamimidoyl)-6-methylphenoxy]acetic acid
CID 173435683
3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide
CID 91375435
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
3-chloro-N'-hydroxy-4-[(2-hydroxyethylamino)methyl]benzenecarboximidamide
CID 102667080

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide (CID 2735315) is 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is WBOBDNOWHZRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c8-4-1-3(7(11)12-13)2-5(9)6(4)10/h1-2,13H,10H2,(H2,11,12).
What are the key properties of 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide?
4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 220.06 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2735315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).