2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide

C12H14ClFN2O — CID 90996603

IUPAC2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(14)11(9)8(12(15)16-17)6-7-4-5-7/h1-3,7-8,17H,4-6H2,(H2,15,16)
InChIKeyQUILUBMWEBRJMC-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide

2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide (PubChem CID 90996603) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide
PubChem CID90996603
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(14)11(9)8(12(15)16-17)6-7-4-5-7/h1-3,7-8,17H,4-6H2,(H2,15,16)
InChIKeyQUILUBMWEBRJMC-UHFFFAOYSA-N
XLogP3.11
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol
CID 82089092
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171274071
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-3-chloro-2-fluorobenzamide
CID 81262533
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171259217

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide (CID 90996603) is 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide is NC(=NO)C(CC1CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide?
The InChIKey is QUILUBMWEBRJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(14)11(9)8(12(15)16-17)6-7-4-5-7/h1-3,7-8,17H,4-6H2,(H2,15,16).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide?
2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide has a molecular weight of 256.71 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide is sourced from PubChem (CID 90996603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).