2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride

C14H14Cl2N2O2 — CID 175042655

IUPAC2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
SMILESCl.NC(=NO)c1cccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C14H13ClN2O2.ClH/c15-13-11(14(16)17-18)7-4-8-12(13)19-9-10-5-2-1-3-6-10;/h1-8,18H,9H2,(H2,16,17);1H
InChIKeyQNKFDRBGLLDHPZ-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride

2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride (PubChem CID 175042655) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
PubChem CID175042655
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
SMILESCl.NC(=NO)c1cccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C14H13ClN2O2.ClH/c15-13-11(14(16)17-18)7-4-8-12(13)19-9-10-5-2-1-3-6-10;/h1-8,18H,9H2,(H2,16,17);1H
InChIKeyQNKFDRBGLLDHPZ-UHFFFAOYSA-N
XLogP3.44
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.44
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-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103786
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride (CID 175042655) is 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride is Cl.NC(=NO)c1cccc(OCc2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride?
The InChIKey is QNKFDRBGLLDHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2.ClH/c15-13-11(14(16)17-18)7-4-8-12(13)19-9-10-5-2-1-3-6-10;/h1-8,18H,9H2,(H2,16,17);1H.
What are the key properties of 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride?
2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride has a molecular weight of 313.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 175042655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).