N'-[(4-bromophenyl)methoxy]benzenecarboximidamide

C14H13BrN2O — CID 16544846

IUPACN'-[(4-bromophenyl)methoxy]benzenecarboximidamide
SMILESN/C(=N\OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c15-13-8-6-11(7-9-13)10-18-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKeyPSSHCQCEFTYAAH-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.29
Rot. Bonds4

About N'-[(4-bromophenyl)methoxy]benzenecarboximidamide

N'-[(4-bromophenyl)methoxy]benzenecarboximidamide (PubChem CID 16544846) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methoxy]benzenecarboximidamide
PubChem CID16544846
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN'-[(4-bromophenyl)methoxy]benzenecarboximidamide
SMILESN/C(=N\OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c15-13-8-6-11(7-9-13)10-18-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKeyPSSHCQCEFTYAAH-UHFFFAOYSA-N
XLogP3.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-[(4-bromophenyl)methoxy]benzenecarboximidamide (CID 16544846) is N'-[(4-bromophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-[(4-bromophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-[(4-bromophenyl)methoxy]benzenecarboximidamide is N/C(=N\OCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N'-[(4-bromophenyl)methoxy]benzenecarboximidamide?
The InChIKey is PSSHCQCEFTYAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-13-8-6-11(7-9-13)10-18-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17).
What are the key properties of N'-[(4-bromophenyl)methoxy]benzenecarboximidamide?
N'-[(4-bromophenyl)methoxy]benzenecarboximidamide has a molecular weight of 305.18 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 16544846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).