2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H14ClFN2O2 — CID 77071095

IUPAC2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COc2ccc(F)cc2Cl)CC1)=NO
InChIInChI=1S/C12H14ClFN2O2/c13-9-5-8(14)1-2-10(9)18-7-12(3-4-12)6-11(15)16-17/h1-2,5,17H,3-4,6-7H2,(H2,15,16)
InChIKeyGCBBCXOEZVUMSW-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071095) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071095
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COc2ccc(F)cc2Cl)CC1)=NO
InChIInChI=1S/C12H14ClFN2O2/c13-9-5-8(14)1-2-10(9)18-7-12(3-4-12)6-11(15)16-17/h1-2,5,17H,3-4,6-7H2,(H2,15,16)
InChIKeyGCBBCXOEZVUMSW-UHFFFAOYSA-N
XLogP2.77
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.77
H-Bond Donors ≤ 52
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

2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070577
2-[1-[(5-bromo-2-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114673616
[4-[(2-chloro-4-fluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006045
2-[1-[(2-bromo-4-fluorophenoxy)methyl]cyclopropyl]ethanimidamide
CID 65492145
N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77071143
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65498113
4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624
2-[1-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77071229
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868038
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
CID 156693611

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071095) is 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(COc2ccc(F)cc2Cl)CC1)=NO.
What is the InChIKey of 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is GCBBCXOEZVUMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-9-5-8(14)1-2-10(9)18-7-12(3-4-12)6-11(15)16-17/h1-2,5,17H,3-4,6-7H2,(H2,15,16).
What are the key properties of 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 272.71 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).