(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide

C17H16BrNO3 — CID 1344312

IUPAC(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C17H16BrNO3/c1-21-15-7-5-14(6-8-15)19-17(20)10-3-12-11-13(18)4-9-16(12)22-2/h3-11H,1-2H3,(H,19,20)/b10-3+
InChIKeyMKIZMEVGVJRTAH-XCVCLJGOSA-N
MW362.22 g/mol
LogP4.12
Rot. Bonds5

About (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide

(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 1344312) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID1344312
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C17H16BrNO3/c1-21-15-7-5-14(6-8-15)19-17(20)10-3-12-11-13(18)4-9-16(12)22-2/h3-11H,1-2H3,(H,19,20)/b10-3+
InChIKeyMKIZMEVGVJRTAH-XCVCLJGOSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide (CID 1344312) is (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1.
What is the InChIKey of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is MKIZMEVGVJRTAH-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-15-7-5-14(6-8-15)19-17(20)10-3-12-11-13(18)4-9-16(12)22-2/h3-11H,1-2H3,(H,19,20)/b10-3+.
What are the key properties of (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 362.22 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1344312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).