4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide

C14H11BrCl2N2O2 — CID 102667619

IUPAC4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COc2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H11BrCl2N2O2/c15-10-3-4-13(12(17)6-10)21-7-9-2-1-8(5-11(9)16)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyKOFVOVJEWHYTDD-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.43
Rot. Bonds4

About 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide

4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 102667619) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID102667619
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COc2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H11BrCl2N2O2/c15-10-3-4-13(12(17)6-10)21-7-9-2-1-8(5-11(9)16)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyKOFVOVJEWHYTDD-UHFFFAOYSA-N
XLogP4.43
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.43
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

4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667692
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]benzoic acid
CID 102765413

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide (CID 102667619) is 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(COc2ccc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is KOFVOVJEWHYTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c15-10-3-4-13(12(17)6-10)21-7-9-2-1-8(5-11(9)16)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 390.06 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102667619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).