4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide

C15H14BrClN2O2 — CID 102667692

IUPAC4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c16-13-5-1-10(2-6-13)8-21-9-12-4-3-11(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyPBFWTNWGPMQAHP-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.91
Rot. Bonds5

About 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide

4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 102667692) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID102667692
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c16-13-5-1-10(2-6-13)8-21-9-12-4-3-11(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyPBFWTNWGPMQAHP-UHFFFAOYSA-N
XLogP3.91
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.91
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-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 102667617
4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82806150
4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795
methyl 2-[2-chloro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86683498
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
CID 113471414
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide (CID 102667692) is 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(COCc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PBFWTNWGPMQAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-13-5-1-10(2-6-13)8-21-9-12-4-3-11(7-14(12)17)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19).
What are the key properties of 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide?
4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 369.65 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102667692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).