3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide

C14H13ClN2O2 — CID 76899274

IUPAC3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-12-8-11(14(16)17-18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,16,17)
InChIKeyCPMFEEUTGGIEHA-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide

3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide (PubChem CID 76899274) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
PubChem CID76899274
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-12-8-11(14(16)17-18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,16,17)
InChIKeyCPMFEEUTGGIEHA-UHFFFAOYSA-N
XLogP3.01
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.01
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

3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide (CID 76899274) is 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide is NC(=NO)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
The InChIKey is CPMFEEUTGGIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-8-11(14(16)17-18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide?
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide has a molecular weight of 276.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 76899274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).