4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride

C15H13BrClN3O — CID 155776597

IUPAC4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccc(Br)cc2)c(C#N)c1
InChIInChI=1S/C15H12BrN3O.ClH/c16-13-4-1-10(2-5-13)9-20-14-6-3-11(15(18)19)7-12(14)8-17;/h1-7H,9H2,(H3,18,19);1H
InChIKeySGSISGRMLXZJDQ-UHFFFAOYSA-N
MW366.65 g/mol
LogP3.61
Rot. Bonds4

About 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride

4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride (PubChem CID 155776597) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride
PubChem CID155776597
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC Name4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccc(Br)cc2)c(C#N)c1
InChIInChI=1S/C15H12BrN3O.ClH/c16-13-4-1-10(2-5-13)9-20-14-6-3-11(15(18)19)7-12(14)8-17;/h1-7H,9H2,(H3,18,19);1H
InChIKeySGSISGRMLXZJDQ-UHFFFAOYSA-N
XLogP3.61
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 53.61
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'}

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Related Compounds

4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
CID 114902529
2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide
CID 107930870
3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 80698460
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride (CID 155776597) is 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCc2ccc(Br)cc2)c(C#N)c1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride?
The InChIKey is SGSISGRMLXZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O.ClH/c16-13-4-1-10(2-5-13)9-20-14-6-3-11(15(18)19)7-12(14)8-17;/h1-7H,9H2,(H3,18,19);1H.
What are the key properties of 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride?
4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride has a molecular weight of 366.65 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 155776597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).