4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide

C12H17ClN2O3 — CID 55233057

IUPAC4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
SMILESCCCOCCOc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C12H17ClN2O3/c1-2-5-17-6-7-18-11-8-9(13)3-4-10(11)12(14)15-16/h3-4,8,16H,2,5-7H2,1H3,(H2,14,15)
InChIKeyRGHCONWHGIQRIR-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.24
Rot. Bonds7

About 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide (PubChem CID 55233057) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
PubChem CID55233057
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
SMILESCCCOCCOc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C12H17ClN2O3/c1-2-5-17-6-7-18-11-8-9(13)3-4-10(11)12(14)15-16/h3-4,8,16H,2,5-7H2,1H3,(H2,14,15)
InChIKeyRGHCONWHGIQRIR-UHFFFAOYSA-N
XLogP2.24
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
CID 63686142
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-3-propoxypropanamide
CID 77050416
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
CID 106705042
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide (CID 55233057) is 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide is CCCOCCOc1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide?
The InChIKey is RGHCONWHGIQRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-2-5-17-6-7-18-11-8-9(13)3-4-10(11)12(14)15-16/h3-4,8,16H,2,5-7H2,1H3,(H2,14,15).
What are the key properties of 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide has a molecular weight of 272.73 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 55233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).