2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide

C9H10Cl2N2O — CID 83389889

IUPAC2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide
SMILES[H]/N=C(\N)C(C)(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,14H,1H3,(H3,12,13)
InChIKeyMDRYCZWRRPBHPU-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.14
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide

2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide (PubChem CID 83389889) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide
PubChem CID83389889
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide
SMILES[H]/N=C(\N)C(C)(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,14H,1H3,(H3,12,13)
InChIKeyMDRYCZWRRPBHPU-UHFFFAOYSA-N
XLogP2.14
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-(3-chlorophenyl)propan-2-ol
CID 62009660
Atrolactamidine
CID 23422943
Butanamidine, 2-hydroxy-2-phenyl-
CID 23422944
Racemic atrolactamidinium chloride
CID 139056126
2-(4-Chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
CID 139630440
2-(2-chlorophenyl)-N',2-dihydroxy-2-phenylethanimidamide
CID 140081994
[1-Amino-2-(4-chlorophenyl)-2-hydroxyethylidene]azanium chloride
CID 172855781
2-(2,6-Dichlorophenyl)-2-hydroxyethanimidamide
CID 45121962
2-(2,4-Dichlorophenyl)-2-hydroxyethanimidamide
CID 45121970
1-Amino-2-(3-chlorophenyl)butan-2-ol
CID 62773573
2-Hydroxy-2-phenylpropanimidamide hydrochloride
CID 75422270
(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethanimidamide
CID 93512760

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide (CID 83389889) is 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide is [H]/N=C(\N)C(C)(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide?
The InChIKey is MDRYCZWRRPBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,14H,1H3,(H3,12,13).
What are the key properties of 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide?
2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide has a molecular weight of 233.10 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide is sourced from PubChem (CID 83389889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).