(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide

C16H15BrN2O — CID 59789851

IUPAC(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
SMILESCOc1ccc(/C=C/C(N)=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-20-15-9-2-12(3-10-15)4-11-16(18)19-14-7-5-13(17)6-8-14/h2-11H,1H3,(H2,18,19)/b11-4+
InChIKeyKUWOPIHWLJDVLT-NYYWCZLTSA-N
MW331.21 g/mol
LogP4.16
Rot. Bonds4

About (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide

(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide (PubChem CID 59789851) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
PubChem CID59789851
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
SMILESCOc1ccc(/C=C/C(N)=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-20-15-9-2-12(3-10-15)4-11-16(18)19-14-7-5-13(17)6-8-14/h2-11H,1H3,(H2,18,19)/b11-4+
InChIKeyKUWOPIHWLJDVLT-NYYWCZLTSA-N
XLogP4.16
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.16
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
The IUPAC name of (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide (CID 59789851) is (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide.
What is the SMILES notation for (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
The canonical SMILES for (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide is COc1ccc(/C=C/C(N)=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
The InChIKey is KUWOPIHWLJDVLT-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-20-15-9-2-12(3-10-15)4-11-16(18)19-14-7-5-13(17)6-8-14/h2-11H,1H3,(H2,18,19)/b11-4+.
What are the key properties of (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide has a molecular weight of 331.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide is sourced from PubChem (CID 59789851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).